A0A3Q0KKP1_SCHMA Loading...

Methyltransf_11 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 257 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	37.9	Very low	240 Å²	240	125.7 Å²	125.7	100%	1.182	73%	0.725	S	S	*	*				0	101.4	0	-77.2	173.9	165.7	0	0	107.5
2	T	27.6	Very low	38.7	Very low	145 Å²	145	122.2 Å²	122.2	89%	0.89	71%	0.713	S	S	*	*			trans	-120.8	102	173.2	43.8	0	0	0	0	107.2
3	T	28.1	Very low	39.7	Very low	137 Å²	137	117.4 Å²	117.4	84%	0.84	68%	0.683	S	S	*	*			trans	-81.4	116.6	171	44.9	0	0	0	0	108.3
4	D	38.3	Very low	40.8	Very low	114 Å²	114	110.9 Å²	110.9	61%	0.61	64%	0.644	S	S	*	*			trans	-85.9	137.1	158.8	173.8	28.2	0	0	0	108.8	S6	D4-S6 PolarHBondContact O-N 2.98Å; D4-S6 VanDerWaalsContact O-N 3.12Å; D4-S6 WeakPolarHBondContact OD2-CB 3.45Å; D4-S6 PolarHBondContact OD2-OG 3.29Å
5	N	34.6	Very low	41.7	Very low	169 Å²	169	108.5 Å²	108.5	90%	0.904	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	21.5	-172.1	-118.6	-0.9	0	0	0	113.4
6	S	44.7	Very low	42.3	Very low	53 Å²	53	110.4 Å²	110.4	37%	0.371	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.4	-4.3	-170.1	60.5	0	0	0	0	115.1	D4 K8	D4-S6 PolarHBondContact O-N 2.98Å; D4-S6 VanDerWaalsContact O-N 3.12Å; D4-S6 WeakPolarHBondContact OD2-CB 3.45Å; D4-S6 PolarHBondContact OD2-OG 3.29Å; S6-K8 PolarHBondContact O-N 2.89Å
7	G	33.5	Very low	43.4	Very low	86 Å²	86	107.8 Å²	107.8	89%	0.887	63%	0.628	S	S	*	*			trans	57.9	9.4	175.3	0	0	0	0	0	115
8	K	40.8	Very low	45.3	Very low	153 Å²	153	113.6 Å²	113.6	67%	0.665	65%	0.645	S	S	*	*			trans	-94	125.4	179.2	-74.4	-179.3	-180	-176.7	0	108.4	S6 H10	S6-K8 PolarHBondContact O-N 2.89Å; K8-H10 PolarHBondContact O-N 3.49Å
9	S	36.7	Very low	47.6	Very low	122 Å²	122	109.6 Å²	109.6	85%	0.853	62%	0.62	S	S	*	*			trans	-53.7	100.6	174.9	-177.7	0	0	0	0	110
10	H	45.4	Very low	49.8	Very low	137 Å²	137	108 Å²	108	63%	0.634	61%	0.609	S	S	*	*			trans	-71.7	124.3	165	-82.9	-82.5	0	0	0	107.3	K8 S12	K8-H10 PolarHBondContact O-N 3.49Å; H10-S12 PolarHBondContact O-N 2.96Å
11	N	53.7	Low	51.9	Low	27 Å²	27	104.2 Å²	104.2	14%	0.144	59%	0.589	C	S	.	*			trans	-49.8	107.8	-175.8	-158.6	0	0	0	0	110.8	L13 S15	N11-L13 PolarHBondContact O-N 3.23Å; N11-S15 PolarHBondContact O-OG 3.48Å
12	S	48.2	Very low	54.9	Low	83 Å²	83	97.6 Å²	97.6	58%	0.58	56%	0.558	S	S	*	*	H	α-helix	trans	-69.4	-11.5	-176.3	64.8	0	0	0	0	113.5	H10	H10-S12 PolarHBondContact O-N 2.96Å
13	L	52	Low	58.1	Low	60 Å²	60	94.7 Å²	94.7	31%	0.314	53%	0.534	S	S	.	.	H	α-helix	trans	-77.1	-31.5	-177.1	-75.5	163.3	0	0	0	113.8	N11	N11-L13 PolarHBondContact O-N 3.23Å
14	L	54.9	Low	61.3	Low	26 Å²	26	88.8 Å²	88.8	14%	0.136	50%	0.497	C	S	.	.	H	α-helix	trans	-103.3	-24.3	177.7	-70.4	175	0	0	0	113.5	N16 F19 T226 L228 D241	L14-N16 PolarHBondContact O-N 2.81Å; L14-F19 HydrophobicContact CD2-CD1 4.11Å; L14-F19 HydrophobicContact CD2-CE1 3.83Å; L14-F19 HydrophobicContact CD2-CZ 4.39Å; L14-T226 HydrophobicContact CD2-CG2 3.53Å; L14-L228 HydrophobicContact CD1-CD2 3.82Å; L14-L228 HydrophobicContact CD2-CD2 3.98Å; L14-L228 HydrophobicContact CG-CD2 4.12Å; L14-D241 HydrophobicContact CD1-CB 3.39Å
15	S	53.8	Low	64.1	Low	76 Å²	76	83.6 Å²	83.6	53%	0.531	47%	0.469	S	S	.	.	H	α-helix	trans	-70.9	-16.7	-172.6	57.4	0	0	0	0	113.9	N11	N11-S15 PolarHBondContact O-OG 3.48Å
16	N	52	Low	67	Low	139 Å²	139	78.5 Å²	78.5	74%	0.743	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-0.8	-173	-73.5	-26.6	0	0	0	115.5	L14	L14-N16 PolarHBondContact O-N 2.81Å
17	V	61.1	Low	69.5	Low	65 Å²	65	81.9 Å²	81.9	39%	0.394	45%	0.447	S	S	.	.			trans	-119	121.9	-179.2	-171.7	0	0	0	0	109.8	F19	V17-F19 PolarHBondContact O-N 3.36Å; V17-F19 VanDerWaalsContact O-N 3.17Å
18	K	77.6	Confident	72.4	Confident	213 Å²	213	80.9 Å²	80.9	93%	0.926	42%	0.416	S	S	*	.			trans	-67.7	110.3	168.9	-90.2	-173.6	173.9	-176.8	0	108.1
19	F	88.7	Confident	75.1	Confident	38 Å²	38	74.6 Å²	74.6	17%	0.167	39%	0.391	C	S	.	.			trans	-111.7	162.4	171.3	71	-89.9	0	0	0	110.4	L14 V17 P21 L24 T157 V223 T226	L14-F19 HydrophobicContact CD2-CD1 4.11Å; L14-F19 HydrophobicContact CD2-CE1 3.83Å; L14-F19 HydrophobicContact CD2-CZ 4.39Å; V17-F19 PolarHBondContact O-N 3.36Å; V17-F19 VanDerWaalsContact O-N 3.17Å; F19-P21 HydrophobicContact CE2-CB 3.96Å; F19-P21 WeakPolarHBondContact O-CD 3.32Å; F19-L24 HydrophobicContact CD2-CB 4.49Å; F19-L24 HydrophobicContact CD2-CD2 4.1Å; F19-L24 HydrophobicContact CE2-CD2 3.67Å; F19-L24 HydrophobicContact CZ-CD2 4.45Å; F19-T157 HydrophobicContact CE1-CG2 4.35Å; F19-T157 HydrophobicContact CE2-CG2 4.3Å; F19-T157 HydrophobicContact CZ-CG2 3.68Å; F19-V223 HydrophobicContact CB-CG2 4.02Å; F19-V223 HydrophobicContact CD2-CG2 4.49Å; F19-T226 HydrophobicContact CB-CG2 3.99Å; F19-T226 WeakPolarHBondContact CB-OG1 3.25Å; F19-T226 HydrophobicContact CD1-CG2 4.26Å; F19-T226 HydrophobicContact CD2-CG2 4.5Å; F19-T226 HydrophobicContact CG-CG2 4.03Å
20	D	92.1	Very high	77.9	Confident	76 Å²	76	70.5 Å²	70.5	41%	0.406	36%	0.358	S	S	.	.			trans	-83.9	107	170.9	-171.7	-21.2	0	0	0	109.5	I22 E23 L24	D20-I22 VanDerWaalsContact C-N 3.27Å; D20-I22 PolarHBondContact O-N 3.28Å; D20-I22 WeakPolarHBondContact OD1-CA 3.5Å; D20-I22 WeakPolarHBondContact OD1-CB 3.28Å; D20-I22 PolarHBondContact OD1-N 2.82Å; D20-E23 HydrophobicContact CB-CB 3.88Å; D20-E23 PolarHBondContact OD1-N 2.95Å; D20-L24 PolarHBondContact O-N 2.86Å
21	P	93.8	Very high	80.4	Confident	30 Å²	30	68.7 Å²	68.7	20%	0.195	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-27.6	179.8	29.8	-35.8	0	0	0	112.9	F19 E25 S156 T157	F19-P21 HydrophobicContact CE2-CB 3.96Å; F19-P21 WeakPolarHBondContact O-CD 3.32Å; P21-E25 WeakPolarHBondContact O-CB 3.36Å; P21-E25 WeakPolarHBondContact O-CG 3.49Å; P21-E25 PolarHBondContact O-N 3.47Å; P21-S156 WeakPolarHBondContact CA-OG 3.44Å; P21-S156 WeakPolarHBondContact CB-OG 3.21Å; P21-S156 PolarHBondContact O-OG 2.86Å; P21-T157 HydrophobicContact CB-CG2 3.9Å
22	I	94.8	Very high	82.4	Confident	101 Å²	101	69.7 Å²	69.7	52%	0.518	36%	0.357	S	S	.	.	H	α-helix	trans	-72.5	-46.2	-179.2	-59.2	172.7	0	0	0	108.8	D20 L24 E25 D26	D20-I22 VanDerWaalsContact C-N 3.27Å; D20-I22 PolarHBondContact O-N 3.28Å; D20-I22 WeakPolarHBondContact OD1-CA 3.5Å; D20-I22 WeakPolarHBondContact OD1-CB 3.28Å; D20-I22 PolarHBondContact OD1-N 2.82Å; I22-L24 VanDerWaalsContact C-N 3.33Å; I22-L24 PolarHBondContact O-N 3.39Å; I22-E25 PolarHBondContact O-N 2.83Å; I22-D26 VanDerWaalsContact O-CB 3.29Å; I22-D26 WeakPolarHBondContact O-CB 3.43Å; I22-D26 PolarHBondContact O-N 3.15Å
23	E	95.4	Very high	84.7	Confident	84 Å²	84	68.2 Å²	68.2	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-59.4	-45.1	176.5	-171.1	-170.1	163.2	0	0	111.4	D20 D26 R27 V223	D20-E23 HydrophobicContact CB-CB 3.88Å; D20-E23 PolarHBondContact OD1-N 2.95Å; E23-D26 PolarHBondContact O-N 2.84Å; E23-R27 WeakPolarHBondContact O-CB 3.35Å; E23-R27 PolarHBondContact O-N 3.27Å; E23-V223 HydrophobicContact CB-CG1 4.35Å; E23-V223 HydrophobicContact CG-CG1 4.05Å
24	L	95.3	Very high	86.8	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-47.1	-179.8	-178.1	67.9	0	0	0	111.8	F19 D20 I22 Y28 A222 V223 L228	F19-L24 HydrophobicContact CD2-CB 4.49Å; F19-L24 HydrophobicContact CD2-CD2 4.1Å; F19-L24 HydrophobicContact CE2-CD2 3.67Å; F19-L24 HydrophobicContact CZ-CD2 4.45Å; D20-L24 PolarHBondContact O-N 2.86Å; I22-L24 VanDerWaalsContact C-N 3.33Å; I22-L24 PolarHBondContact O-N 3.39Å; L24-Y28 HydrophobicContact CD1-CD2 3.74Å; L24-Y28 HydrophobicContact CD1-CE2 4.11Å; L24-Y28 PolarHBondContact O-N 2.91Å; L24-Y28 VanDerWaalsContact O-N 3.08Å; L24-A222 HydrophobicContact CD1-CB 3.44Å; L24-A222 VanDerWaalsContact CD1-CB 3.44Å; L24-V223 HydrophobicContact CB-CG1 4.06Å; L24-V223 HydrophobicContact CD1-CG1 4.11Å; L24-L228 HydrophobicContact CD1-CD1 4.04Å; L24-L228 HydrophobicContact CD2-CD1 4.11Å
25	E	96.7	Very high	88.8	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.019	37%	0.369	C	S	.	.	H	α-helix	trans	-65	-42.3	177.9	-72.5	162.9	-159.4	0	0	111.4	P21 I22 R27 V29 H30 S156 R160	P21-E25 WeakPolarHBondContact O-CB 3.36Å; P21-E25 WeakPolarHBondContact O-CG 3.49Å; P21-E25 PolarHBondContact O-N 3.47Å; I22-E25 PolarHBondContact O-N 2.83Å; E25-R27 PolarHBondContact O-N 2.87Å; E25-V29 VanDerWaalsContact O-CA 3.31Å; E25-V29 WeakPolarHBondContact O-CA 3.26Å; E25-V29 WeakPolarHBondContact O-CB 3.2Å; E25-V29 PolarHBondContact O-N 2.82Å; E25-H30 PolarHBondContact O-N 3.39Å; E25-S156 WeakPolarHBondContact OE1-CB 3.39Å; E25-S156 PolarHBondContact OE1-N 2.98Å; E25-S156 PolarHBondContact OE1-OG 2.94Å; E25-R160 WeakPolarHBondContact OE1-CD 3.13Å; E25-R160 IonicContact OE1-CZ 3.44Å; E25-R160 IonicContact OE1-NE 3.37Å; E25-R160 PolarHBondContact OE1-NE 3.22Å; E25-R160 IonicContact OE2-CZ 3.94Å; E25-R160 VanDerWaalsContact OE2-CZ 3.26Å; E25-R160 IonicContact OE2-NE 2.94Å; E25-R160 PolarHBondContact OE2-NE 3.5Å; E25-R160 IonicContact OE2-NH2 3.91Å; E25-R160 PolarHBondContact OE2-NH2 3.24Å
26	D	96.7	Very high	90.7	Very high	62 Å²	62	70.4 Å²	70.4	33%	0.332	35%	0.349	S	S	.	.	I	π-helix	trans	-60.8	-50.3	178.7	-167.3	67.7	0	0	0	111.7	I22 E23 H30 Q31	I22-D26 VanDerWaalsContact O-CB 3.29Å; I22-D26 WeakPolarHBondContact O-CB 3.43Å; I22-D26 PolarHBondContact O-N 3.15Å; E23-D26 PolarHBondContact O-N 2.84Å; D26-H30 PolarHBondContact O-N 3.28Å; D26-H30 IonicContact OD1-ND1 3.35Å; D26-H30 PolarHBondContact OD1-ND1 2.67Å; D26-Q31 WeakPolarHBondContact O-CB 3.41Å; D26-Q31 VanDerWaalsContact O-CG 3.29Å; D26-Q31 WeakPolarHBondContact O-CG 3.49Å; D26-Q31 PolarHBondContact O-N 3.34Å; D26-Q31 PolarHBondContact OD2-NE2 3.1Å
27	R	95.4	Very high	92.8	Very high	125 Å²	125	64 Å²	64	47%	0.472	32%	0.315	S	S	.	.	I	π-helix	trans	-68.2	-43.1	-176.2	-175	172	-178.1	172.1	1	113.4	E23 E25	E23-R27 WeakPolarHBondContact O-CB 3.35Å; E23-R27 PolarHBondContact O-N 3.27Å; E25-R27 PolarHBondContact O-N 2.87Å
28	Y	95.7	Very high	94.3	Very high	64 Å²	64	65.4 Å²	65.4	25%	0.251	33%	0.329	S	S	.	.	I	π-helix	trans	-105.5	-7.1	-170.3	-68.6	-82	0	0	0	114.7	L24 V32 A222 L243	L24-Y28 HydrophobicContact CD1-CD2 3.74Å; L24-Y28 HydrophobicContact CD1-CE2 4.11Å; L24-Y28 PolarHBondContact O-N 2.91Å; L24-Y28 VanDerWaalsContact O-N 3.08Å; Y28-V32 WeakPolarHBondContact O-CG2 3.48Å; Y28-A222 HydrophobicContact CD2-CB 4.42Å; Y28-A222 HydrophobicContact CE2-CB 3.76Å; Y28-A222 WeakPolarHBondContact CE2-O 3.45Å; Y28-A222 PolarHBondContact OH-O 3.13Å; Y28-L243 HydrophobicContact CD1-CD1 3.96Å; Y28-L243 HydrophobicContact CD1-CD2 3.82Å; Y28-L243 HydrophobicContact CD2-CD2 4.34Å; Y28-L243 HydrophobicContact CE1-CD1 3.79Å; Y28-L243 HydrophobicContact CE1-CD2 4.47Å; Y28-L243 HydrophobicContact CG-CD1 4.49Å; Y28-L243 HydrophobicContact CG-CD2 3.73Å
29	V	96.5	Very high	95	Very high	21 Å²	21	57.3 Å²	57.3	13%	0.127	29%	0.294	C	S	.	.	I	π-helix	trans	-119.7	-66.4	176.2	-172.8	0	0	0	0	109.8	E25 V32 Y33 H154	E25-V29 VanDerWaalsContact O-CA 3.31Å; E25-V29 WeakPolarHBondContact O-CA 3.26Å; E25-V29 WeakPolarHBondContact O-CB 3.2Å; E25-V29 PolarHBondContact O-N 2.82Å; V29-V32 PolarHBondContact O-N 3.32Å; V29-Y33 HydrophobicContact CG1-CD2 3.84Å; V29-Y33 HydrophobicContact CG1-CE2 3.97Å; V29-Y33 VanDerWaalsContact O-CD2 3.3Å; V29-Y33 WeakPolarHBondContact O-CD2 3.35Å; V29-Y33 PolarHBondContact O-N 2.95Å; V29-H154 HydrophobicContact CB-CB 4.45Å; V29-H154 HydrophobicContact CG1-CB 3.7Å; V29-H154 HydrophobicContact CG2-CB 3.93Å
30	H	97.2	Very high	95.2	Very high	37 Å²	37	57 Å²	57	17%	0.171	29%	0.293	C	S	.	.	I	π-helix	trans	-63	-55.8	-169.4	-55.8	157.4	0	0	0	111.8	E25 D26 V32 Y33 D34	E25-H30 PolarHBondContact O-N 3.39Å; D26-H30 PolarHBondContact O-N 3.28Å; D26-H30 IonicContact OD1-ND1 3.35Å; D26-H30 PolarHBondContact OD1-ND1 2.67Å; H30-V32 PolarHBondContact O-N 2.96Å; H30-Y33 PolarHBondContact O-N 2.76Å; H30-D34 PolarHBondContact O-N 2.74Å
31	Q	96.5	Very high	95.2	Very high	98 Å²	98	54 Å²	54	46%	0.458	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-36.8	179.1	-66.9	175.8	24.9	0	0	111.6	D26 D34 V35	D26-Q31 WeakPolarHBondContact O-CB 3.41Å; D26-Q31 VanDerWaalsContact O-CG 3.29Å; D26-Q31 WeakPolarHBondContact O-CG 3.49Å; D26-Q31 PolarHBondContact O-N 3.34Å; D26-Q31 PolarHBondContact OD2-NE2 3.1Å; Q31-D34 PolarHBondContact O-N 2.84Å; Q31-V35 VanDerWaalsContact O-CG2 3.29Å; Q31-V35 WeakPolarHBondContact O-CG2 3.33Å; Q31-V35 PolarHBondContact O-N 3.43Å; Q31-V35 VanDerWaalsContact O-N 3.08Å
32	V	96	Very high	95	Very high	49 Å²	49	56 Å²	56	30%	0.297	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-51.6	177.9	174.4	0	0	0	0	110.4	Y28 V29 H30 D34 V35 I36	Y28-V32 WeakPolarHBondContact O-CG2 3.48Å; V29-V32 PolarHBondContact O-N 3.32Å; H30-V32 PolarHBondContact O-N 2.96Å; V32-D34 VanDerWaalsContact C-N 3.31Å; V32-D34 PolarHBondContact O-N 2.88Å; V32-V35 PolarHBondContact O-N 2.64Å; V32-V35 VanDerWaalsContact O-N 3.15Å; V32-I36 HydrophobicContact CG1-CD1 4.16Å; V32-I36 HydrophobicContact CG1-CG2 4.41Å; V32-I36 WeakPolarHBondContact O-CG1 3.21Å; V32-I36 PolarHBondContact O-N 3.34Å
33	Y	96.9	Very high	94.5	Very high	51 Å²	51	53.9 Å²	53.9	20%	0.2	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-37.6	179.5	-86.2	-72.1	0	0	0	112.8	V29 H30 V35 I36 A37 F40 L117 H154	V29-Y33 HydrophobicContact CG1-CD2 3.84Å; V29-Y33 HydrophobicContact CG1-CE2 3.97Å; V29-Y33 VanDerWaalsContact O-CD2 3.3Å; V29-Y33 WeakPolarHBondContact O-CD2 3.35Å; V29-Y33 PolarHBondContact O-N 2.95Å; H30-Y33 PolarHBondContact O-N 2.76Å; Y33-V35 VanDerWaalsContact C-N 3.31Å; Y33-V35 PolarHBondContact O-N 3.35Å; Y33-I36 HydrophobicContact CD1-CD1 4.35Å; Y33-I36 HydrophobicContact CD1-CG1 4.42Å; Y33-I36 PolarHBondContact O-N 2.9Å; Y33-A37 WeakPolarHBondContact O-CA 3.49Å; Y33-A37 WeakPolarHBondContact O-CB 3.08Å; Y33-A37 PolarHBondContact O-N 2.86Å; Y33-F40 AromaticContact CE1-CD2 3.99Å; Y33-F40 HydrophobicContact CE1-CD2 3.99Å; Y33-F40 AromaticContact CE1-CE2 3.93Å; Y33-F40 HydrophobicContact CE1-CE2 3.93Å; Y33-F40 HydrophobicContact CE1-CG 4.49Å; Y33-F40 HydrophobicContact CE1-CZ 4.4Å; Y33-L117 HydrophobicContact CD1-CD1 3.92Å; Y33-L117 HydrophobicContact CG-CD1 4.47Å; Y33-H154 AromaticContact CE2-CE1 3.8Å; Y33-H154 AromaticContact CE2-NE2 3.67Å; Y33-H154 AromaticContact CZ-NE2 3.82Å; Y33-H154 PolarHBondContact OH-NE2 3.45Å; Y33-H154 VanDerWaalsContact OH-NE2 3.12Å
34	D	96	Very high	93.9	Very high	60 Å²	60	55.9 Å²	55.9	32%	0.321	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-39.9	174.5	-75.5	-12.4	0	0	0	112.2	H30 Q31 V32 S114 P115 K116	H30-D34 PolarHBondContact O-N 2.74Å; Q31-D34 PolarHBondContact O-N 2.84Å; V32-D34 VanDerWaalsContact C-N 3.31Å; V32-D34 PolarHBondContact O-N 2.88Å; D34-S114 WeakPolarHBondContact OD1-CA 3.45Å; D34-S114 WeakPolarHBondContact OD1-CB 3.25Å; D34-S114 PolarHBondContact OD1-OG 3.31Å; D34-P115 WeakPolarHBondContact OD1-CD 3.22Å; D34-K116 HydrophobicContact CB-CG 4.33Å; D34-K116 WeakPolarHBondContact O-CG 3.37Å
35	V	95.9	Very high	93.2	Very high	125 Å²	125	60 Å²	60	76%	0.758	31%	0.307	S	S	*	.	H	α-helix	trans	-72.2	-42.2	177.3	171.1	0	0	0	0	111.9	Q31 V32 Y33	Q31-V35 VanDerWaalsContact O-CG2 3.29Å; Q31-V35 WeakPolarHBondContact O-CG2 3.33Å; Q31-V35 PolarHBondContact O-N 3.43Å; Q31-V35 VanDerWaalsContact O-N 3.08Å; V32-V35 PolarHBondContact O-N 2.64Å; V32-V35 VanDerWaalsContact O-N 3.15Å; Y33-V35 VanDerWaalsContact C-N 3.31Å; Y33-V35 PolarHBondContact O-N 3.35Å
36	I	94.9	Very high	92.8	Very high	23 Å²	23	64.8 Å²	64.8	12%	0.118	34%	0.34	C	S	.	.	H	α-helix	trans	-91.2	-2.1	-173.2	73.3	172.9	0	0	0	113.9	V32 Y33 S38 E39 F40 W246	V32-I36 HydrophobicContact CG1-CD1 4.16Å; V32-I36 HydrophobicContact CG1-CG2 4.41Å; V32-I36 WeakPolarHBondContact O-CG1 3.21Å; V32-I36 PolarHBondContact O-N 3.34Å; Y33-I36 HydrophobicContact CD1-CD1 4.35Å; Y33-I36 HydrophobicContact CD1-CG1 4.42Å; Y33-I36 PolarHBondContact O-N 2.9Å; I36-S38 VanDerWaalsContact C-N 3.3Å; I36-S38 PolarHBondContact O-N 2.91Å; I36-S38 VanDerWaalsContact O-N 3.1Å; I36-E39 PolarHBondContact O-N 3Å; I36-F40 HydrophobicContact CD1-CB 4.44Å; I36-F40 HydrophobicContact CG1-CB 4.24Å; I36-F40 WeakPolarHBondContact O-CB 3.47Å; I36-F40 PolarHBondContact O-N 3.15Å; I36-W246 HydrophobicContact CB-CG 4.47Å; I36-W246 HydrophobicContact CD1-CB 3.92Å; I36-W246 HydrophobicContact CD1-CD2 3.6Å; I36-W246 HydrophobicContact CD1-CE3 3.91Å; I36-W246 HydrophobicContact CD1-CG 3.59Å; I36-W246 HydrophobicContact CG2-CG 4.14Å
37	A	95.6	Very high	92.5	Very high	4 Å²	4	63.7 Å²	63.7	3%	0.033	34%	0.337	C	S	.	.	H	α-helix	trans	-47.5	-46.9	-169.2	0	0	0	0	0	114	Y33 S41 K116 L117 I120	Y33-A37 WeakPolarHBondContact O-CA 3.49Å; Y33-A37 WeakPolarHBondContact O-CB 3.08Å; Y33-A37 PolarHBondContact O-N 2.86Å; A37-S41 WeakPolarHBondContact O-CB 3.44Å; A37-S41 PolarHBondContact O-N 3.48Å; A37-K116 HydrophobicContact CB-CB 3.51Å; A37-L117 HydrophobicContact CB-CD2 3.85Å; A37-L117 HydrophobicContact CB-CG 3.91Å; A37-I120 HydrophobicContact CB-CD1 4.29Å
38	S	93.5	Very high	92.3	Very high	96 Å²	96	62 Å²	62	67%	0.671	33%	0.331	S	S	*	.	H	α-helix	trans	-63.4	-44.2	179.6	-175	0	0	0	0	112.5	I36 S41 S42	I36-S38 VanDerWaalsContact C-N 3.3Å; I36-S38 PolarHBondContact O-N 2.91Å; I36-S38 VanDerWaalsContact O-N 3.1Å; S38-S41 PolarHBondContact O-N 2.85Å; S38-S42 PolarHBondContact O-N 2.81Å; S38-S42 VanDerWaalsContact O-N 3.14Å
39	E	92.2	Very high	92.1	Very high	43 Å²	43	63.1 Å²	63.1	20%	0.201	35%	0.346	C	S	.	.	H	α-helix	trans	-76.8	-37.2	-178.7	-167.1	-176.6	163	0	0	112	I36 S41 S42 T43 W246 K248 K249	I36-E39 PolarHBondContact O-N 3Å; E39-S41 VanDerWaalsContact C-N 3.28Å; E39-S41 PolarHBondContact O-N 3.01Å; E39-S42 PolarHBondContact O-N 2.97Å; E39-S42 PolarHBondContact O-OG 3.32Å; E39-S42 VanDerWaalsContact O-OG 3.04Å; E39-T43 WeakPolarHBondContact O-CG2 3.17Å; E39-T43 PolarHBondContact O-N 3.21Å; E39-T43 PolarHBondContact O-OG1 3.46Å; E39-W246 HydrophobicContact CG-CZ2 4.27Å; E39-K248 VanDerWaalsContact OE1-CA 3.22Å; E39-K248 WeakPolarHBondContact OE1-CA 3.22Å; E39-K248 WeakPolarHBondContact OE1-CG 3.47Å; E39-K248 WeakPolarHBondContact OE2-CD 3.37Å; E39-K248 WeakPolarHBondContact OE2-CG 3.43Å; E39-K249 PolarHBondContact OE1-N 3.42Å
40	F	92.1	Very high	92	Very high	32 Å²	32	65.2 Å²	65.2	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-56.6	-47.9	169.6	173.9	-91.5	0	0	0	110.1	Y33 I36 S42 T43 R44 N71 L117 W246	Y33-F40 AromaticContact CE1-CD2 3.99Å; Y33-F40 HydrophobicContact CE1-CD2 3.99Å; Y33-F40 AromaticContact CE1-CE2 3.93Å; Y33-F40 HydrophobicContact CE1-CE2 3.93Å; Y33-F40 HydrophobicContact CE1-CG 4.49Å; Y33-F40 HydrophobicContact CE1-CZ 4.4Å; I36-F40 HydrophobicContact CD1-CB 4.44Å; I36-F40 HydrophobicContact CG1-CB 4.24Å; I36-F40 WeakPolarHBondContact O-CB 3.47Å; I36-F40 PolarHBondContact O-N 3.15Å; F40-S42 PolarHBondContact O-N 3.34Å; F40-T43 PolarHBondContact O-N 2.99Å; F40-T43 PolarHBondContact O-OG1 2.82Å; F40-R44 HydrophobicContact CD2-CG 4.17Å; F40-R44 HydrophobicContact CE2-CG 4Å; F40-R44 HydrophobicContact CZ-CB 4.46Å; F40-R44 HydrophobicContact CZ-CG 4.31Å; F40-R44 WeakPolarHBondContact O-CB 3.38Å; F40-R44 WeakPolarHBondContact O-CG 3.47Å; F40-R44 PolarHBondContact O-N 3.39Å; F40-N71 HydrophobicContact CE1-CB 4.5Å; F40-L117 HydrophobicContact CD1-CD2 3.71Å; F40-L117 HydrophobicContact CE1-CD2 4.24Å; F40-W246 HydrophobicContact CB-CH2 4.37Å; F40-W246 HydrophobicContact CD2-CH2 4.16Å; F40-W246 HydrophobicContact CD2-CZ3 4.03Å
41	S	91.7	Very high	91.9	Very high	13 Å²	13	63.5 Å²	63.5	9%	0.091	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-45.6	-178.9	-178.1	0	0	0	0	112	A37 S38 E39 T43 H45 N71 I120 R124	A37-S41 WeakPolarHBondContact O-CB 3.44Å; A37-S41 PolarHBondContact O-N 3.48Å; S38-S41 PolarHBondContact O-N 2.85Å; E39-S41 VanDerWaalsContact C-N 3.28Å; E39-S41 PolarHBondContact O-N 3.01Å; S41-T43 VanDerWaalsContact C-N 3.26Å; S41-T43 PolarHBondContact O-N 3.34Å; S41-H45 PolarHBondContact O-CE1 3.43Å; S41-H45 PolarHBondContact O-ND1 3.19Å; S41-H45 PolarHBondContact O-NE2 2.93Å; S41-N71 PolarHBondContact O-ND2 3.15Å; S41-I120 WeakPolarHBondContact OG-CG2 3.39Å; S41-R124 PolarHBondContact OG-NH2 3.43Å
42	S	89	Confident	91.8	Very high	70 Å²	70	60.5 Å²	60.5	49%	0.49	34%	0.34	S	S	.	.	H	α-helix	trans	-69.8	-16.8	-176.7	69	0	0	0	0	114.9	S38 E39 F40 H45	S38-S42 PolarHBondContact O-N 2.81Å; S38-S42 VanDerWaalsContact O-N 3.14Å; E39-S42 PolarHBondContact O-N 2.97Å; E39-S42 PolarHBondContact O-OG 3.32Å; E39-S42 VanDerWaalsContact O-OG 3.04Å; F40-S42 PolarHBondContact O-N 3.34Å; S42-H45 VanDerWaalsContact C-NE2 3.25Å; S42-H45 VanDerWaalsContact CA-NE2 3.27Å; S42-H45 WeakPolarHBondContact CA-NE2 3.28Å; S42-H45 PolarHBondContact O-CD2 2.91Å; S42-H45 VanDerWaalsContact O-CD2 3.24Å; S42-H45 PolarHBondContact O-NE2 3.44Å
43	T	85.9	Confident	91.7	Very high	57 Å²	57	65.1 Å²	65.1	35%	0.35	36%	0.356	S	S	.	.	H	α-helix	trans	-111.1	-4.8	-174.7	59.4	0	0	0	0	114	E39 F40 S41	E39-T43 WeakPolarHBondContact O-CG2 3.17Å; E39-T43 PolarHBondContact O-N 3.21Å; E39-T43 PolarHBondContact O-OG1 3.46Å; F40-T43 PolarHBondContact O-N 2.99Å; F40-T43 PolarHBondContact O-OG1 2.82Å; S41-T43 VanDerWaalsContact C-N 3.26Å; S41-T43 PolarHBondContact O-N 3.34Å
44	R	81.5	Confident	91.7	Very high	126 Å²	126	64.4 Å²	64.4	48%	0.475	35%	0.354	S	S	.	.			trans	-126.7	53.5	-171.8	-65.1	-69.8	-172	-105.5	1.2	112.4	F40 N71	F40-R44 HydrophobicContact CD2-CG 4.17Å; F40-R44 HydrophobicContact CE2-CG 4Å; F40-R44 HydrophobicContact CZ-CB 4.46Å; F40-R44 HydrophobicContact CZ-CG 4.31Å; F40-R44 WeakPolarHBondContact O-CB 3.38Å; F40-R44 WeakPolarHBondContact O-CG 3.47Å; F40-R44 PolarHBondContact O-N 3.39Å; R44-N71 PolarHBondContact O-ND2 3.01Å; R44-N71 VanDerWaalsContact O-ND2 3.17Å
45	H	81.1	Confident	91.6	Very high	100 Å²	100	61.6 Å²	61.6	46%	0.463	34%	0.339	S	S	.	.			trans	-90.9	-32.1	-178.8	-60.6	-64.3	0	0	0	114.4	S41 S42 P47	S41-H45 PolarHBondContact O-CE1 3.43Å; S41-H45 PolarHBondContact O-ND1 3.19Å; S41-H45 PolarHBondContact O-NE2 2.93Å; S42-H45 VanDerWaalsContact C-NE2 3.25Å; S42-H45 VanDerWaalsContact CA-NE2 3.27Å; S42-H45 WeakPolarHBondContact CA-NE2 3.28Å; S42-H45 PolarHBondContact O-CD2 2.91Å; S42-H45 VanDerWaalsContact O-CD2 3.24Å; S42-H45 PolarHBondContact O-NE2 3.44Å; H45-P47 VanDerWaalsContact O-CD 3.23Å; H45-P47 WeakPolarHBondContact O-CD 3.32Å
46	S	88.3	Confident	91.3	Very high	104 Å²	104	59.2 Å²	59.2	73%	0.727	32%	0.32	S	S	*	.	S	Bend	trans	-73.7	115.8	-174.6	-56.9	0	0	0	0	111
47	P	91	Very high	91.2	Very high	40 Å²	40	61.8 Å²	61.8	26%	0.26	34%	0.344	S	S	.	.			trans	-71.2	147.6	176.1	30.6	-35.3	0	0	0	110.9	H45 L52 Y74 A77	H45-P47 VanDerWaalsContact O-CD 3.23Å; H45-P47 WeakPolarHBondContact O-CD 3.32Å; P47-L52 HydrophobicContact CB-CD1 3.97Å; P47-L52 HydrophobicContact CB-CD2 3.85Å; P47-L52 HydrophobicContact CB-CG 3.92Å; P47-L52 HydrophobicContact CG-CD1 3.61Å; P47-L52 HydrophobicContact CG-CD2 4.23Å; P47-L52 HydrophobicContact CG-CG 4.14Å; P47-Y74 HydrophobicContact CB-CD1 4.04Å; P47-Y74 HydrophobicContact CB-CE1 3.83Å; P47-A77 HydrophobicContact CB-CB 4.2Å; P47-A77 HydrophobicContact CG-CB 3.99Å
48	W	91.2	Very high	91.1	Very high	90 Å²	90	62.2 Å²	62.2	34%	0.341	35%	0.345	S	S	.	.			trans	-70.7	128.3	172.9	-67.6	116.8	0	0	0	110.2	S50 V51 L52 Y198	W48-S50 VanDerWaalsContact C-N 3.26Å; W48-S50 PolarHBondContact O-N 3.47Å; W48-V51 HydrophobicContact CB-CB 4.47Å; W48-V51 HydrophobicContact CB-CG2 3.99Å; W48-V51 PolarHBondContact O-N 3.48Å; W48-L52 PolarHBondContact O-N 3.03Å; W48-Y198 AromaticContact CH2-CE1 3.82Å; W48-Y198 HydrophobicContact CH2-CE1 3.82Å; W48-Y198 HydrophobicContact CH2-CE2 4.41Å; W48-Y198 AromaticContact CH2-CZ 3.46Å; W48-Y198 VanDerWaalsContact CH2-CZ 3.46Å; W48-Y198 WeakPolarHBondContact CH2-OH 2.91Å; W48-Y198 AromaticContact CZ2-CE1 3.93Å; W48-Y198 HydrophobicContact CZ2-CE1 3.93Å; W48-Y198 AromaticContact CZ2-CZ 3.66Å; W48-Y198 WeakPolarHBondContact CZ2-OH 3.42Å
49	P	91.9	Very high	90.8	Very high	87 Å²	87	61.4 Å²	61.4	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-58.3	-34.6	-177.9	-27.7	35.1	0	0	0	114.1	V51 L52 K53	P49-V51 VanDerWaalsContact C-N 3.32Å; P49-V51 PolarHBondContact O-N 2.96Å; P49-L52 PolarHBondContact O-N 3.14Å; P49-K53 WeakPolarHBondContact O-CG 3.47Å; P49-K53 PolarHBondContact O-N 2.88Å
50	S	93.7	Very high	90.4	Very high	65 Å²	65	63.9 Å²	63.9	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-65.2	-34.8	177.7	53.9	0	0	0	0	112.9	W48 F54 Q181	W48-S50 VanDerWaalsContact C-N 3.26Å; W48-S50 PolarHBondContact O-N 3.47Å; S50-F54 PolarHBondContact O-N 3.32Å; S50-F54 VanDerWaalsContact O-N 3.13Å; S50-Q181 PolarHBondContact OG-NE2 2.97Å
51	V	95.7	Very high	90	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-72	-41.9	176.4	-178.4	0	0	0	0	110.3	W48 P49 F54 I55 Y74 L147 I149 L179	W48-V51 HydrophobicContact CB-CB 4.47Å; W48-V51 HydrophobicContact CB-CG2 3.99Å; W48-V51 PolarHBondContact O-N 3.48Å; P49-V51 VanDerWaalsContact C-N 3.32Å; P49-V51 PolarHBondContact O-N 2.96Å; V51-F54 WeakPolarHBondContact O-CB 3.11Å; V51-F54 PolarHBondContact O-N 3.11Å; V51-I55 HydrophobicContact CG1-CD1 4.18Å; V51-I55 WeakPolarHBondContact O-CG1 3.48Å; V51-I55 PolarHBondContact O-N 3.23Å; V51-Y74 HydrophobicContact CB-CD1 4.09Å; V51-Y74 HydrophobicContact CB-CE1 3.43Å; V51-Y74 VanDerWaalsContact CB-CE1 3.43Å; V51-Y74 HydrophobicContact CG1-CD1 3.52Å; V51-Y74 HydrophobicContact CG1-CD2 4.25Å; V51-Y74 HydrophobicContact CG1-CE1 3.31Å; V51-Y74 HydrophobicContact CG1-CE2 4.07Å; V51-Y74 HydrophobicContact CG1-CG 3.99Å; V51-Y74 HydrophobicContact CG2-CE1 3.99Å; V51-Y74 WeakPolarHBondContact CG2-OH 3.29Å; V51-L147 HydrophobicContact CG1-CD1 4.24Å; V51-L147 HydrophobicContact CG1-CD2 4.06Å; V51-I149 HydrophobicContact CG1-CD1 4.39Å; V51-I149 HydrophobicContact CG1-CG1 4.39Å; V51-I149 HydrophobicContact CG2-CD1 3.9Å; V51-I149 HydrophobicContact CG2-CG1 4.33Å; V51-L179 HydrophobicContact CB-CD2 4.25Å; V51-L179 HydrophobicContact CG1-CD2 4.16Å; V51-L179 HydrophobicContact CG2-CD2 3.99Å
52	L	93.4	Very high	90.1	Very high	35 Å²	35	67.3 Å²	67.3	18%	0.183	37%	0.371	C	S	.	.	H	α-helix	trans	-61	-47.1	175.3	-63.9	-172.8	0	0	0	111.5	P47 W48 P49 F54 I55 E56 Y74 A77	P47-L52 HydrophobicContact CB-CD1 3.97Å; P47-L52 HydrophobicContact CB-CD2 3.85Å; P47-L52 HydrophobicContact CB-CG 3.92Å; P47-L52 HydrophobicContact CG-CD1 3.61Å; P47-L52 HydrophobicContact CG-CD2 4.23Å; P47-L52 HydrophobicContact CG-CG 4.14Å; W48-L52 PolarHBondContact O-N 3.03Å; P49-L52 PolarHBondContact O-N 3.14Å; L52-F54 PolarHBondContact O-N 3.17Å; L52-I55 HydrophobicContact CD2-CD1 4.41Å; L52-I55 PolarHBondContact O-N 3.3Å; L52-E56 WeakPolarHBondContact O-CB 3.45Å; L52-E56 WeakPolarHBondContact O-CG 3.5Å; L52-E56 PolarHBondContact O-N 3.09Å; L52-Y74 HydrophobicContact CD2-CD1 4.2Å; L52-A77 HydrophobicContact CD2-CB 3.59Å
53	K	94.2	Very high	90.4	Very high	146 Å²	146	66.9 Å²	66.9	64%	0.635	36%	0.363	S	S	*	.	H	α-helix	trans	-55.6	-38.5	174.9	-75.2	179	-179.8	-174.7	0	112.9	P49 A57	P49-K53 WeakPolarHBondContact O-CG 3.47Å; P49-K53 PolarHBondContact O-N 2.88Å; K53-A57 VanDerWaalsContact O-CB 3.25Å; K53-A57 WeakPolarHBondContact O-CB 3.39Å; K53-A57 PolarHBondContact O-N 3.08Å
54	F	96.4	Very high	90.9	Very high	36 Å²	36	64.1 Å²	64.1	16%	0.158	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-43.6	176.2	174.9	-93.9	0	0	0	112.2	S50 V51 L52 Q58 F145 L147 Q177 L179	S50-F54 PolarHBondContact O-N 3.32Å; S50-F54 VanDerWaalsContact O-N 3.13Å; V51-F54 WeakPolarHBondContact O-CB 3.11Å; V51-F54 PolarHBondContact O-N 3.11Å; L52-F54 PolarHBondContact O-N 3.17Å; F54-Q58 WeakPolarHBondContact O-CG 3.02Å; F54-Q58 PolarHBondContact O-NE2 2.97Å; F54-Q58 VanDerWaalsContact O-NE2 3.09Å; F54-F145 HydrophobicContact CE1-CB 4.12Å; F54-F145 AromaticContact CE1-CD2 3.89Å; F54-F145 HydrophobicContact CE1-CD2 3.89Å; F54-F145 HydrophobicContact CE1-CG 4.33Å; F54-F145 HydrophobicContact CZ-CB 4.12Å; F54-L147 HydrophobicContact CD1-CD2 3.6Å; F54-L147 HydrophobicContact CE1-CD2 3.77Å; F54-Q177 HydrophobicContact CE2-CB 4.09Å; F54-Q177 HydrophobicContact CZ-CB 3.98Å; F54-L179 HydrophobicContact CB-CD2 3.77Å; F54-L179 HydrophobicContact CD1-CB 3.83Å; F54-L179 HydrophobicContact CD1-CD2 3.91Å; F54-L179 HydrophobicContact CD2-CB 4.22Å; F54-L179 HydrophobicContact CD2-CD2 4.45Å; F54-L179 HydrophobicContact CE1-CB 3.74Å; F54-L179 HydrophobicContact CE2-CB 4.14Å; F54-L179 HydrophobicContact CG-CB 4.06Å; F54-L179 HydrophobicContact CG-CD2 3.78Å; F54-L179 HydrophobicContact CG-CG 4.46Å; F54-L179 HydrophobicContact CZ-CB 3.91Å
55	I	93.9	Very high	91.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-47	176	-61.9	164.5	0	0	0	110.4	V51 L52 A57 Q58 Y74 Y82 I108 L147	V51-I55 HydrophobicContact CG1-CD1 4.18Å; V51-I55 WeakPolarHBondContact O-CG1 3.48Å; V51-I55 PolarHBondContact O-N 3.23Å; L52-I55 HydrophobicContact CD2-CD1 4.41Å; L52-I55 PolarHBondContact O-N 3.3Å; I55-A57 PolarHBondContact O-N 3.48Å; I55-Q58 VanDerWaalsContact O-CB 3.31Å; I55-Q58 WeakPolarHBondContact O-CB 3.32Å; I55-Q58 WeakPolarHBondContact O-CG 3.45Å; I55-Q58 PolarHBondContact O-N 3.19Å; I55-Q58 VanDerWaalsContact O-N 3.08Å; I55-Y74 HydrophobicContact CD1-CD1 4.46Å; I55-Y82 PolarHBondContact O-OH 3.48Å; I55-I108 HydrophobicContact CG2-CD1 4.28Å; I55-L147 HydrophobicContact CD1-CD1 3.71Å; I55-L147 HydrophobicContact CG1-CD1 3.97Å; I55-L147 HydrophobicContact CG1-CD2 4.17Å
56	E	90.5	Very high	92.5	Very high	75 Å²	75	53.4 Å²	53.4	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-27	-178.2	-67.9	169.6	-166.9	0	0	112.8	L52 Q58 Y81	L52-E56 WeakPolarHBondContact O-CB 3.45Å; L52-E56 WeakPolarHBondContact O-CG 3.5Å; L52-E56 PolarHBondContact O-N 3.09Å; E56-Q58 VanDerWaalsContact C-N 3.26Å; E56-Q58 PolarHBondContact O-N 3.49Å; E56-Y81 HydrophobicContact CB-CE1 4.4Å; E56-Y81 VanDerWaalsContact CD-CE2 3.48Å; E56-Y81 HydrophobicContact CG-CD1 4.14Å; E56-Y81 HydrophobicContact CG-CD2 4.01Å; E56-Y81 HydrophobicContact CG-CE1 3.84Å; E56-Y81 HydrophobicContact CG-CE2 3.68Å; E56-Y81 HydrophobicContact CG-CG 4.21Å
57	A	92.6	Very high	93	Very high	76 Å²	76	48.5 Å²	48.5	63%	0.628	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.2	175.5	0	0	0	0	0	113.6	K53 I55	K53-A57 VanDerWaalsContact O-CB 3.25Å; K53-A57 WeakPolarHBondContact O-CB 3.39Å; K53-A57 PolarHBondContact O-N 3.08Å; I55-A57 PolarHBondContact O-N 3.48Å
58	Q	92.8	Very high	93.4	Very high	13 Å²	13	47.3 Å²	47.3	6%	0.061	26%	0.263	C	S	.	.	S	Bend	trans	-71.6	142.5	179.1	-59.4	-54.6	-52.5	0	0	110.7	F54 I55 E56 I106 F145	F54-Q58 WeakPolarHBondContact O-CG 3.02Å; F54-Q58 PolarHBondContact O-NE2 2.97Å; F54-Q58 VanDerWaalsContact O-NE2 3.09Å; I55-Q58 VanDerWaalsContact O-CB 3.31Å; I55-Q58 WeakPolarHBondContact O-CB 3.32Å; I55-Q58 WeakPolarHBondContact O-CG 3.45Å; I55-Q58 PolarHBondContact O-N 3.19Å; I55-Q58 VanDerWaalsContact O-N 3.08Å; E56-Q58 VanDerWaalsContact C-N 3.26Å; E56-Q58 PolarHBondContact O-N 3.49Å; Q58-I106 HydrophobicContact CB-CD1 3.58Å; Q58-F145 HydrophobicContact CB-CD1 4.17Å; Q58-F145 HydrophobicContact CB-CE1 4.13Å; Q58-F145 HydrophobicContact CG-CB 4.41Å; Q58-F145 HydrophobicContact CG-CD1 3.58Å; Q58-F145 HydrophobicContact CG-CD2 4.34Å; Q58-F145 HydrophobicContact CG-CE1 3.81Å; Q58-F145 HydrophobicContact CG-CG 3.86Å; Q58-F145 HydrophobicContact CG-CZ 4.26Å
59	P	88.9	Confident	93.7	Very high	80 Å²	80	43.4 Å²	43.4	52%	0.519	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-54.6	147	174	-24.8	32.7	0	0	0	112.2	S62 I106	P59-S62 WeakPolarHBondContact CD-OG 3.11Å; P59-S62 WeakPolarHBondContact O-CB 2.93Å; P59-S62 PolarHBondContact O-N 2.9Å; P59-S62 VanDerWaalsContact O-N 3.1Å; P59-S62 PolarHBondContact O-OG 2.85Å; P59-I106 WeakPolarHBondContact O-CD1 3.29Å
60	L	83.1	Confident	94	Very high	94 Å²	94	39.7 Å²	39.7	49%	0.492	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	143.6	171.1	-66	173.8	0	0	0	110.3	S62 Y82 N104	L60-S62 PolarHBondContact O-N 3.41Å; L60-Y82 HydrophobicContact CD2-CE1 4.31Å; L60-N104 WeakPolarHBondContact CD1-OD1 3.4Å; L60-N104 HydrophobicContact CD2-CB 3.95Å
61	N	83.9	Confident	94.1	Very high	114 Å²	114	36.8 Å²	36.8	61%	0.61	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	8.9	-175.4	-44.2	-46.7	0	0	0	115.3
62	S	92.4	Very high	94.1	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.028	21%	0.206	C	C	.	.			trans	-60.4	143.5	169.2	-62.7	0	0	0	0	110.9	P59 L60 I106 P107 D144	P59-S62 WeakPolarHBondContact CD-OG 3.11Å; P59-S62 WeakPolarHBondContact O-CB 2.93Å; P59-S62 PolarHBondContact O-N 2.9Å; P59-S62 VanDerWaalsContact O-N 3.1Å; P59-S62 PolarHBondContact O-OG 2.85Å; L60-S62 PolarHBondContact O-N 3.41Å; S62-I106 WeakPolarHBondContact O-CG2 3.33Å; S62-P107 VanDerWaalsContact O-CD 3.26Å; S62-P107 WeakPolarHBondContact O-CD 3.14Å; S62-D144 WeakPolarHBondContact CA-OD2 3.34Å
63	L	95.4	Very high	94.2	Very high	60 Å²	60	36.8 Å²	36.8	31%	0.314	21%	0.205	S	C	.	.			trans	-98.2	115.6	173.2	-177.4	63.1	0	0	0	110.1	P107 F143 D144 F145	L63-P107 HydrophobicContact CD1-CB 3.97Å; L63-P107 HydrophobicContact CD1-CG 3.82Å; L63-F143 HydrophobicContact CD1-CE1 4.25Å; L63-F143 HydrophobicContact CD2-CD1 4.15Å; L63-F143 HydrophobicContact CD2-CE1 4.09Å; L63-F143 HydrophobicContact CG-CD1 3.69Å; L63-F143 HydrophobicContact CG-CE1 3.78Å; L63-F143 WeakPolarHBondContact O-CA 3.49Å; L63-D144 PolarHBondContact N-OD2 3.39Å; L63-D144 PolarHBondContact O-N 3.4Å; L63-F145 PolarHBondContact O-N 3.23Å
64	G	97.1	Very high	94.3	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	157.4	178.5	0	0	0	0	0	113.8	P107 I108 A109 F143 F145	G64-P107 PolarHBondContact N-O 2.93Å; G64-I108 CarbonylContact O-C 3.58Å; G64-I108 VanDerWaalsContact O-CA 3.28Å; G64-I108 WeakPolarHBondContact O-CA 3.36Å; G64-A109 PolarHBondContact O-N 2.87Å; G64-F143 VanDerWaalsContact O-CD1 3.28Å; G64-F143 WeakPolarHBondContact O-CD1 3.39Å; G64-F143 WeakPolarHBondContact O-CE1 3.35Å; G64-F145 CarbonylContact C-O 3.43Å; G64-F145 WeakPolarHBondContact CA-O 3.46Å
65	A	98.4	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.3	164.1	0	0	0	0	0	110.3	V67 A109 Y138 F143 F145 F146 L147 I171	A65-V67 HydrophobicContact CB-CG2 4.19Å; A65-A109 CarbonylContact C-O 3.53Å; A65-A109 WeakPolarHBondContact CA-O 3.3Å; A65-Y138 HydrophobicContact CB-CE2 4.25Å; A65-F143 HydrophobicContact CB-CD1 3.69Å; A65-F143 HydrophobicContact CB-CD2 4.49Å; A65-F143 HydrophobicContact CB-CE1 3.73Å; A65-F143 HydrophobicContact CB-CG 4.08Å; A65-F143 HydrophobicContact CB-CZ 4.14Å; A65-F145 PolarHBondContact N-O 2.8Å; A65-F146 HydrophobicContact CB-CB 4.3Å; A65-F146 CarbonylContact O-C 3.04Å; A65-F146 WeakPolarHBondContact O-CA 3.22Å; A65-L147 PolarHBondContact O-N 2.88Å; A65-I171 HydrophobicContact CB-CD1 4Å
66	D	98.5	Very high	94.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	98.5	168	-168.1	3.5	0	0	0	108.1	C69 L75 I108 A109 M111 L147	D66-C69 HydrophobicContact CB-CB 3.88Å; D66-C69 VanDerWaalsContact CG-CB 3.44Å; D66-C69 WeakPolarHBondContact OD2-CB 3.4Å; D66-L75 HydrophobicContact CB-CD2 4.26Å; D66-I108 HydrophobicContact CB-CG2 3.78Å; D66-A109 PolarHBondContact N-O 3.12Å; D66-M111 PolarHBondContact O-N 3.05Å; D66-L147 HydrophobicContact CB-CB 4.47Å; D66-L147 HydrophobicContact CB-CD1 4.44Å
67	V	98.7	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.4	-172.1	168.7	0	0	0	0	109.4	A65 M111 I133 I136 L147 L168 I171	A65-V67 HydrophobicContact CB-CG2 4.19Å; V67-M111 HydrophobicContact CB-CE 4.28Å; V67-M111 HydrophobicContact CG1-CE 3.42Å; V67-M111 VanDerWaalsContact CG1-CE 3.42Å; V67-M111 HydrophobicContact CG2-CE 4.32Å; V67-I133 HydrophobicContact CG1-CB 4.31Å; V67-I133 HydrophobicContact CG1-CD1 3.68Å; V67-I133 HydrophobicContact CG1-CG1 3.64Å; V67-I136 HydrophobicContact CG1-CD1 4.19Å; V67-I136 HydrophobicContact CG2-CD1 4.26Å; V67-L147 PolarHBondContact N-O 2.9Å; V67-L168 HydrophobicContact CB-CD2 3.81Å; V67-L168 HydrophobicContact CG1-CD2 3.76Å; V67-L168 HydrophobicContact CG2-CD2 3.91Å; V67-I171 HydrophobicContact CG2-CD1 4.34Å
68	G	98.4	Very high	94	Very high	16 Å²	16	24 Å²	24	17%	0.165	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	51.7	-164.1	0	0	0	0	0	110.8	G70 M111	G68-G70 PolarHBondContact O-N 2.76Å; G68-G70 VanDerWaalsContact O-N 3.08Å; G68-M111 CarbonylContact C-O 3.46Å; G68-M111 VanDerWaalsContact CA-O 3.28Å; G68-M111 WeakPolarHBondContact CA-O 3.28Å; G68-M111 PolarHBondContact N-O 3.2Å
69	C	98	Very high	93.7	Very high	7 Å²	7	25.5 Å²	25.5	5%	0.047	15%	0.152	C	C	.	.			trans	-66.6	-9.8	-172.5	65.4	0	0	0	0	114	D66 N71 G72 L75 A110 M111 E112	D66-C69 HydrophobicContact CB-CB 3.88Å; D66-C69 VanDerWaalsContact CG-CB 3.44Å; D66-C69 WeakPolarHBondContact OD2-CB 3.4Å; C69-N71 PolarHBondContact O-N 2.98Å; C69-G72 PolarHBondContact O-N 3.16Å; C69-L75 HydrophobicContact CB-CD1 4.44Å; C69-A110 HydrophobicContact CB-CB 4.34Å; C69-M111 PolarHBondContact N-O 2.85Å; C69-E112 PolarHBondContact N-OE2 3.43Å
70	G	97.3	Very high	93.6	Very high	10 Å²	10	28.3 Å²	28.3	10%	0.103	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-123.9	-178.4	0	0	0	0	0	110.8	G68 G72 E112 V121	G68-G70 PolarHBondContact O-N 2.76Å; G68-G70 VanDerWaalsContact O-N 3.08Å; G70-G72 PolarHBondContact O-N 3.5Å; G70-E112 WeakPolarHBondContact CA-OE2 3.38Å; G70-E112 PolarHBondContact N-OE2 3.19Å; G70-V121 VanDerWaalsContact O-CG2 3.29Å; G70-V121 WeakPolarHBondContact O-CG2 3.42Å
71	N	96.6	Very high	93.5	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	7.8	175.8	71.3	-4.4	0	0	0	113.4	F40 S41 R44 C69 K73 I120 R124	F40-N71 HydrophobicContact CE1-CB 4.5Å; S41-N71 PolarHBondContact O-ND2 3.15Å; R44-N71 PolarHBondContact O-ND2 3.01Å; R44-N71 VanDerWaalsContact O-ND2 3.17Å; C69-N71 PolarHBondContact O-N 2.98Å; N71-K73 WeakPolarHBondContact OD1-CB 3.31Å; N71-K73 PolarHBondContact OD1-N 3.1Å; N71-K73 VanDerWaalsContact OD1-N 3.14Å; N71-I120 HydrophobicContact CB-CG2 4.32Å; N71-R124 PolarHBondContact ND2-NH2 3.45Å; N71-R124 PolarHBondContact O-NE 2.9Å; N71-R124 PolarHBondContact O-NH1 3.36Å
72	G	96.2	Very high	93.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	26.7	-179.2	0	0	0	0	0	114.2	C69 G70 Y74 L75 T76	C69-G72 PolarHBondContact O-N 3.16Å; G70-G72 PolarHBondContact O-N 3.5Å; G72-Y74 PolarHBondContact O-N 3.4Å; G72-L75 WeakPolarHBondContact O-CB 3.41Å; G72-L75 PolarHBondContact O-N 3.43Å; G72-T76 PolarHBondContact O-N 3.29Å; G72-T76 PolarHBondContact O-OG1 3.48Å
73	K	95.4	Very high	92.5	Very high	36 Å²	36	24.7 Å²	24.7	16%	0.157	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-36.7	-179.1	70.5	-173.8	-172.3	-177.4	0	112.9	N71 A77	N71-K73 WeakPolarHBondContact OD1-CB 3.31Å; N71-K73 PolarHBondContact OD1-N 3.1Å; N71-K73 VanDerWaalsContact OD1-N 3.14Å; K73-A77 WeakPolarHBondContact O-CB 3.23Å; K73-A77 PolarHBondContact O-N 3.26Å
74	Y	95.5	Very high	91.6	Very high	4 Å²	4	26 Å²	26	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-77.8	-36.4	-179.7	-64.8	-60.6	0	0	0	112.4	P47 V51 L52 I55 G72 T76 A77 S78 L147 I149	P47-Y74 HydrophobicContact CB-CD1 4.04Å; P47-Y74 HydrophobicContact CB-CE1 3.83Å; V51-Y74 HydrophobicContact CB-CD1 4.09Å; V51-Y74 HydrophobicContact CB-CE1 3.43Å; V51-Y74 VanDerWaalsContact CB-CE1 3.43Å; V51-Y74 HydrophobicContact CG1-CD1 3.52Å; V51-Y74 HydrophobicContact CG1-CD2 4.25Å; V51-Y74 HydrophobicContact CG1-CE1 3.31Å; V51-Y74 HydrophobicContact CG1-CE2 4.07Å; V51-Y74 HydrophobicContact CG1-CG 3.99Å; V51-Y74 HydrophobicContact CG2-CE1 3.99Å; V51-Y74 WeakPolarHBondContact CG2-OH 3.29Å; L52-Y74 HydrophobicContact CD2-CD1 4.2Å; I55-Y74 HydrophobicContact CD1-CD1 4.46Å; G72-Y74 PolarHBondContact O-N 3.4Å; Y74-T76 VanDerWaalsContact C-N 3.33Å; Y74-T76 PolarHBondContact O-N 3.18Å; Y74-A77 PolarHBondContact O-N 3.33Å; Y74-S78 WeakPolarHBondContact O-CB 3.37Å; Y74-S78 PolarHBondContact O-N 3.42Å; Y74-L147 HydrophobicContact CG-CD1 4.35Å; Y74-I149 HydrophobicContact CD2-CG1 4.37Å; Y74-I149 HydrophobicContact CE2-CB 3.89Å; Y74-I149 HydrophobicContact CE2-CG1 3.75Å; Y74-I149 HydrophobicContact CE2-CG2 3.85Å
75	L	94.5	Very high	90.4	Very high	4 Å²	4	30 Å²	30	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-48.2	170	-53.3	167.5	0	0	0	110.8	D66 C69 G72 A77 S78 S79 I108 A110 V121 F126	D66-L75 HydrophobicContact CB-CD2 4.26Å; C69-L75 HydrophobicContact CB-CD1 4.44Å; G72-L75 WeakPolarHBondContact O-CB 3.41Å; G72-L75 PolarHBondContact O-N 3.43Å; L75-A77 PolarHBondContact O-N 3.48Å; L75-S78 PolarHBondContact O-N 3.08Å; L75-S79 VanDerWaalsContact O-CB 3.29Å; L75-S79 WeakPolarHBondContact O-CB 3.29Å; L75-S79 PolarHBondContact O-N 3.45Å; L75-I108 HydrophobicContact CD2-CB 3.71Å; L75-I108 HydrophobicContact CD2-CG2 3.49Å; L75-I108 VanDerWaalsContact CD2-CG2 3.49Å; L75-A110 HydrophobicContact CD1-CB 3.44Å; L75-A110 VanDerWaalsContact CD1-CB 3.44Å; L75-A110 HydrophobicContact CD2-CB 4.17Å; L75-A110 HydrophobicContact CG-CB 4.4Å; L75-V121 HydrophobicContact CD1-CG1 3.78Å; L75-F126 HydrophobicContact CB-CD1 3.85Å; L75-F126 HydrophobicContact CB-CD2 4.19Å; L75-F126 HydrophobicContact CB-CE1 3.78Å; L75-F126 HydrophobicContact CB-CE2 4.14Å; L75-F126 HydrophobicContact CB-CG 4.06Å; L75-F126 HydrophobicContact CB-CZ 3.94Å; L75-F126 HydrophobicContact CD1-CB 4.2Å; L75-F126 HydrophobicContact CD1-CG 4.17Å
76	T	92.9	Very high	88.7	Confident	34 Å²	34	34 Å²	34	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-45	179	-56.5	0	0	0	0	111.6	G72 Y74 K80	G72-T76 PolarHBondContact O-N 3.29Å; G72-T76 PolarHBondContact O-OG1 3.48Å; Y74-T76 VanDerWaalsContact C-N 3.33Å; Y74-T76 PolarHBondContact O-N 3.18Å; T76-K80 HydrophobicContact CG2-CD 4.49Å; T76-K80 WeakPolarHBondContact O-CG 3.39Å; T76-K80 PolarHBondContact O-N 3.13Å; T76-K80 VanDerWaalsContact O-N 3.16Å
77	A	91.3	Very high	87	Confident	19 Å²	19	37.2 Å²	37.2	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-67.2	-43.7	179.9	0	0	0	0	0	112.1	P47 L52 K73 Y74 L75 K80 Y81	P47-A77 HydrophobicContact CB-CB 4.2Å; P47-A77 HydrophobicContact CG-CB 3.99Å; L52-A77 HydrophobicContact CD2-CB 3.59Å; K73-A77 WeakPolarHBondContact O-CB 3.23Å; K73-A77 PolarHBondContact O-N 3.26Å; Y74-A77 PolarHBondContact O-N 3.33Å; L75-A77 PolarHBondContact O-N 3.48Å; A77-K80 PolarHBondContact O-N 3.5Å; A77-Y81 PolarHBondContact O-N 3.04Å
78	S	89.3	Confident	85.3	Confident	5 Å²	5	42 Å²	42	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-46.7	176.9	179.7	0	0	0	0	111.5	Y74 L75 K80 Y81 Y82	Y74-S78 WeakPolarHBondContact O-CB 3.37Å; Y74-S78 PolarHBondContact O-N 3.42Å; L75-S78 PolarHBondContact O-N 3.08Å; S78-K80 VanDerWaalsContact C-N 3.34Å; S78-K80 PolarHBondContact O-N 3.38Å; S78-Y81 WeakPolarHBondContact O-CB 3.41Å; S78-Y81 PolarHBondContact O-N 3.27Å; S78-Y81 VanDerWaalsContact O-N 3.15Å; S78-Y82 WeakPolarHBondContact O-CD2 3.39Å; S78-Y82 PolarHBondContact O-N 2.93Å; S78-Y82 VanDerWaalsContact OG-CE2 3.28Å; S78-Y82 WeakPolarHBondContact OG-CE2 3.34Å
79	S	86.8	Confident	83.5	Confident	44 Å²	44	45.3 Å²	45.3	31%	0.308	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-43.7	176.7	179.7	0	0	0	0	112.4	L75 Y82 A83	L75-S79 VanDerWaalsContact O-CB 3.29Å; L75-S79 WeakPolarHBondContact O-CB 3.29Å; L75-S79 PolarHBondContact O-N 3.45Å; S79-Y82 PolarHBondContact O-N 3.25Å; S79-A83 WeakPolarHBondContact O-CB 3.15Å; S79-A83 PolarHBondContact O-N 2.94Å
80	K	85.1	Confident	81.4	Confident	140 Å²	140	48.4 Å²	48.4	61%	0.609	29%	0.288	S	S	*	.	H	α-helix	trans	-62.1	-44.5	175	-73.9	177.2	-179.1	-176.5	0	112.3	T76 A77 S78 A83 T84	T76-K80 HydrophobicContact CG2-CD 4.49Å; T76-K80 WeakPolarHBondContact O-CG 3.39Å; T76-K80 PolarHBondContact O-N 3.13Å; T76-K80 VanDerWaalsContact O-N 3.16Å; A77-K80 PolarHBondContact O-N 3.5Å; S78-K80 VanDerWaalsContact C-N 3.34Å; S78-K80 PolarHBondContact O-N 3.38Å; K80-A83 PolarHBondContact O-N 3.08Å; K80-T84 WeakPolarHBondContact O-CG2 3.28Å; K80-T84 PolarHBondContact O-N 3.4Å; K80-T84 VanDerWaalsContact O-N 3.1Å; K80-T84 PolarHBondContact O-OG1 3.25Å
81	Y	82.2	Confident	79.4	Confident	64 Å²	64	53.6 Å²	53.6	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-58	-51.8	178.3	176.5	-93.1	0	0	0	111.5	E56 A77 S78 A83 T84 M85	E56-Y81 HydrophobicContact CB-CE1 4.4Å; E56-Y81 VanDerWaalsContact CD-CE2 3.48Å; E56-Y81 HydrophobicContact CG-CD1 4.14Å; E56-Y81 HydrophobicContact CG-CD2 4.01Å; E56-Y81 HydrophobicContact CG-CE1 3.84Å; E56-Y81 HydrophobicContact CG-CE2 3.68Å; E56-Y81 HydrophobicContact CG-CG 4.21Å; A77-Y81 PolarHBondContact O-N 3.04Å; S78-Y81 WeakPolarHBondContact O-CB 3.41Å; S78-Y81 PolarHBondContact O-N 3.27Å; S78-Y81 VanDerWaalsContact O-N 3.15Å; Y81-A83 PolarHBondContact O-N 2.7Å; Y81-T84 PolarHBondContact O-N 3.2Å; Y81-T84 VanDerWaalsContact O-N 3.16Å; Y81-T84 PolarHBondContact O-OG1 2.93Å; Y81-M85 HydrophobicContact CE1-CE 4.18Å; Y81-M85 HydrophobicContact CE1-CG 4.07Å; Y81-M85 PolarHBondContact O-N 3.32Å; Y81-M85 VanDerWaalsContact O-N 3.08Å; Y81-M85 WeakPolarHBondContact OH-CE 3.24Å
82	Y	76.7	Confident	77.1	Confident	11 Å²	11	59.1 Å²	59.1	4%	0.043	36%	0.356	C	S	.	.	H	α-helix	trans	-67.7	-33.2	-179.6	-70.9	-62	0	0	0	113.5	I55 L60 S78 S79 T84 M85 K86 N104 F105 I106	I55-Y82 PolarHBondContact O-OH 3.48Å; L60-Y82 HydrophobicContact CD2-CE1 4.31Å; S78-Y82 WeakPolarHBondContact O-CD2 3.39Å; S78-Y82 PolarHBondContact O-N 2.93Å; S78-Y82 VanDerWaalsContact OG-CE2 3.28Å; S78-Y82 WeakPolarHBondContact OG-CE2 3.34Å; S79-Y82 PolarHBondContact O-N 3.25Å; Y82-T84 VanDerWaalsContact C-N 3.32Å; Y82-T84 PolarHBondContact O-N 3.32Å; Y82-M85 PolarHBondContact O-N 2.87Å; Y82-K86 PolarHBondContact O-N 2.93Å; Y82-K86 VanDerWaalsContact O-N 3.08Å; Y82-N104 WeakPolarHBondContact CB-O 3.16Å; Y82-N104 WeakPolarHBondContact CD1-O 3.22Å; Y82-F105 HydrophobicContact CD2-CD2 4.25Å; Y82-F105 HydrophobicContact CG-CD2 4.36Å; Y82-I106 HydrophobicContact CD2-CB 4.38Å; Y82-I106 HydrophobicContact CE1-CD1 4.32Å; Y82-I106 HydrophobicContact CE1-CG1 3.96Å; Y82-I106 HydrophobicContact CE2-CB 3.64Å; Y82-I106 HydrophobicContact CE2-CD1 4.28Å; Y82-I106 HydrophobicContact CE2-CG1 3.82Å; Y82-I106 VanDerWaalsContact CZ-CG1 3.42Å; Y82-I106 WeakPolarHBondContact OH-CD1 3.44Å; Y82-I106 WeakPolarHBondContact OH-CG1 3.34Å
83	A	78.1	Confident	74.6	Confident	61 Å²	61	64.9 Å²	64.9	50%	0.504	40%	0.397	S	S	.	.	H	α-helix	trans	-60.9	-41	172.3	0	0	0	0	0	112	S79 K80 Y81 K86 A87	S79-A83 WeakPolarHBondContact O-CB 3.15Å; S79-A83 PolarHBondContact O-N 2.94Å; K80-A83 PolarHBondContact O-N 3.08Å; Y81-A83 PolarHBondContact O-N 2.7Å; A83-K86 PolarHBondContact O-N 3.42Å; A83-A87 PolarHBondContact O-N 3.2Å
84	T	76.9	Confident	72.3	Confident	88 Å²	88	69.2 Å²	69.2	54%	0.54	43%	0.426	S	S	.	.	H	α-helix	trans	-69.2	-42.1	177.2	56.9	0	0	0	0	113	K80 Y81 Y82 K86 A87 S88	K80-T84 WeakPolarHBondContact O-CG2 3.28Å; K80-T84 PolarHBondContact O-N 3.4Å; K80-T84 VanDerWaalsContact O-N 3.1Å; K80-T84 PolarHBondContact O-OG1 3.25Å; Y81-T84 PolarHBondContact O-N 3.2Å; Y81-T84 VanDerWaalsContact O-N 3.16Å; Y81-T84 PolarHBondContact O-OG1 2.93Å; Y82-T84 VanDerWaalsContact C-N 3.32Å; Y82-T84 PolarHBondContact O-N 3.32Å; T84-K86 VanDerWaalsContact C-N 3.26Å; T84-K86 PolarHBondContact O-N 3.01Å; T84-A87 PolarHBondContact O-N 3.13Å; T84-S88 PolarHBondContact O-N 2.91Å; T84-S88 PolarHBondContact O-OG 3.16Å
85	M	71.4	Confident	69.6	Low	84 Å²	84	77 Å²	77	41%	0.414	46%	0.462	S	S	.	.	H	α-helix	trans	-57.6	-38.8	174.5	-86.1	-78.3	-158.2	0	0	112.6	Y81 Y82 S88 T89	Y81-M85 HydrophobicContact CE1-CE 4.18Å; Y81-M85 HydrophobicContact CE1-CG 4.07Å; Y81-M85 PolarHBondContact O-N 3.32Å; Y81-M85 VanDerWaalsContact O-N 3.08Å; Y81-M85 WeakPolarHBondContact OH-CE 3.24Å; Y82-M85 PolarHBondContact O-N 2.87Å; M85-S88 PolarHBondContact O-N 3.49Å; M85-T89 PolarHBondContact O-N 3.44Å; M85-T89 PolarHBondContact O-OG1 2.94Å
86	K	62.6	Low	66.9	Low	82 Å²	82	81.4 Å²	81.4	36%	0.357	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-44.9	176.9	-171.6	171.6	-180	172.2	0	111.7	Y82 A83 T84 S88 T89 S90 A101	Y82-K86 PolarHBondContact O-N 2.93Å; Y82-K86 VanDerWaalsContact O-N 3.08Å; A83-K86 PolarHBondContact O-N 3.42Å; T84-K86 VanDerWaalsContact C-N 3.26Å; T84-K86 PolarHBondContact O-N 3.01Å; K86-S88 VanDerWaalsContact C-N 3.26Å; K86-S88 PolarHBondContact O-N 2.82Å; K86-T89 PolarHBondContact O-N 3.05Å; K86-T89 VanDerWaalsContact O-N 3.17Å; K86-T89 PolarHBondContact O-OG1 3.46Å; K86-S90 PolarHBondContact O-N 3.06Å; K86-S90 VanDerWaalsContact O-N 3.11Å; K86-S90 PolarHBondContact O-OG 3.49Å; K86-A101 VanDerWaalsContact NZ-CB 3.28Å; K86-A101 PolarHBondContact NZ-O 3.23Å
87	A	64.3	Low	64.4	Low	70 Å²	70	88.7 Å²	88.7	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-61.2	-34.9	178.4	0	0	0	0	0	112.7	A83 T84	A83-A87 PolarHBondContact O-N 3.2Å; T84-A87 PolarHBondContact O-N 3.13Å
88	S	62.5	Low	62	Low	101 Å²	101	91.4 Å²	91.4	71%	0.706	54%	0.539	S	S	*	.	H	α-helix	trans	-75.6	-20.4	178.2	-60.1	0	0	0	0	114.4	T84 M85 K86	T84-S88 PolarHBondContact O-N 2.91Å; T84-S88 PolarHBondContact O-OG 3.16Å; M85-S88 PolarHBondContact O-N 3.49Å; K86-S88 VanDerWaalsContact C-N 3.26Å; K86-S88 PolarHBondContact O-N 2.82Å
89	T	59.2	Low	59.8	Low	85 Å²	85	99.5 Å²	99.5	52%	0.521	58%	0.58	S	S	.	*	H	α-helix	trans	-99.3	-20.4	-178.2	41.3	0	0	0	0	113.3	M85 K86 S91	M85-T89 PolarHBondContact O-N 3.44Å; M85-T89 PolarHBondContact O-OG1 2.94Å; K86-T89 PolarHBondContact O-N 3.05Å; K86-T89 VanDerWaalsContact O-N 3.17Å; K86-T89 PolarHBondContact O-OG1 3.46Å; T89-S91 PolarHBondContact O-N 3.44Å
90	S	54.9	Low	57.8	Low	72 Å²	72	102.1 Å²	102.1	50%	0.503	59%	0.594	S	S	.	*			trans	-91.5	70.2	178.7	58.2	0	0	0	0	112.9	K86	K86-S90 PolarHBondContact O-N 3.06Å; K86-S90 VanDerWaalsContact O-N 3.11Å; K86-S90 PolarHBondContact O-OG 3.49Å
91	S	54.8	Low	55.9	Low	119 Å²	119	97.9 Å²	97.9	83%	0.832	59%	0.585	S	S	*	*			trans	-83.8	2.8	158.7	-66.1	0	0	0	0	112.6	T89	T89-S91 PolarHBondContact O-N 3.44Å
92	T	48.7	Very low	54.1	Low	118 Å²	118	99.8 Å²	99.8	72%	0.724	60%	0.604	S	S	*	*	S	Bend	trans	-104.6	108.6	177.2	2.4	0	0	0	0	110.1	V94	T92-V94 PolarHBondContact O-N 3.37Å
93	S	44.6	Very low	52.7	Low	121 Å²	121	102.7 Å²	102.7	85%	0.846	63%	0.625	S	S	*	*			trans	-61.6	84.8	174.2	36.7	0	0	0	0	111.9
94	V	45.7	Very low	51.6	Low	127 Å²	127	101.9 Å²	101.9	77%	0.77	61%	0.613	S	S	*	*			trans	-129.4	102.9	155.2	-174	0	0	0	0	108.5	T92 C96	T92-V94 PolarHBondContact O-N 3.37Å; V94-C96 PolarHBondContact O-N 2.98Å
95	Q	39.5	Very low	51.2	Low	167 Å²	167	102.2 Å²	102.2	78%	0.78	61%	0.607	S	S	*	*			trans	-74	74.9	178.3	-167.7	173.5	23.1	0	0	109.7	K97	Q95-K97 HydrophobicContact CG-CG 4.47Å; Q95-K97 PolarHBondContact O-N 3.45Å
96	C	37.1	Very low	51.3	Low	97 Å²	97	98.2 Å²	98.2	66%	0.655	59%	0.587	S	S	*	*			trans	-92	98	168.9	-143.7	0	0	0	0	109	V94 S98	V94-C96 PolarHBondContact O-N 2.98Å; C96-S98 PolarHBondContact O-N 2.94Å
97	K	41	Very low	52.5	Low	188 Å²	188	96.6 Å²	96.6	82%	0.817	59%	0.585	S	S	*	*			trans	-73.9	46.4	172.6	-69.7	-179.8	176.7	176.3	0	111.8	Q95	Q95-K97 HydrophobicContact CG-CG 4.47Å; Q95-K97 PolarHBondContact O-N 3.45Å
98	S	41.8	Very low	54	Low	75 Å²	75	94.4 Å²	94.4	52%	0.524	56%	0.563	S	S	.	*			trans	-98.5	127	167.6	-172.9	0	0	0	0	108.4	C96 V100 A101	C96-S98 PolarHBondContact O-N 2.94Å; S98-V100 PolarHBondContact O-N 3.23Å; S98-A101 PolarHBondContact O-N 3.26Å
99	I	42.9	Very low	55.6	Low	175 Å²	175	91 Å²	91	90%	0.897	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	7.1	-176.2	-78.6	165.9	0	0	0	113.5
100	V	44.8	Very low	57.5	Low	99 Å²	99	87.1 Å²	87.1	60%	0.6	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	45	-176.6	-168	0	0	0	0	109.8	S98 T102	S98-V100 PolarHBondContact O-N 3.23Å; V100-T102 HydrophobicContact CG1-CG2 3.41Å; V100-T102 VanDerWaalsContact CG1-CG2 3.41Å; V100-T102 WeakPolarHBondContact O-CG2 3.14Å; V100-T102 PolarHBondContact O-N 3.06Å; V100-T102 PolarHBondContact O-OG1 2.88Å
101	A	44.3	Very low	59.6	Low	51 Å²	51	83.8 Å²	83.8	42%	0.421	49%	0.494	S	S	.	.			trans	-75.4	76.9	169	0	0	0	0	0	109.6	K86 S98 S103	K86-A101 VanDerWaalsContact NZ-CB 3.28Å; K86-A101 PolarHBondContact NZ-O 3.23Å; S98-A101 PolarHBondContact O-N 3.26Å; A101-S103 PolarHBondContact O-N 3.03Å
102	T	44.5	Very low	61.7	Low	105 Å²	105	79 Å²	79	64%	0.644	46%	0.459	S	S	*	.			trans	-65.3	49.2	179.9	45	0	0	0	0	114.4	V100	V100-T102 HydrophobicContact CG1-CG2 3.41Å; V100-T102 VanDerWaalsContact CG1-CG2 3.41Å; V100-T102 WeakPolarHBondContact O-CG2 3.14Å; V100-T102 PolarHBondContact O-N 3.06Å; V100-T102 PolarHBondContact O-OG1 2.88Å
103	S	48.1	Very low	64	Low	71 Å²	71	78.1 Å²	78.1	50%	0.497	44%	0.442	S	S	.	.	S	Bend	trans	-121.6	98.8	179.5	-44.6	0	0	0	0	107.8	A101	A101-S103 PolarHBondContact O-N 3.03Å
104	N	54	Low	66.6	Low	45 Å²	45	72.6 Å²	72.6	24%	0.241	40%	0.404	C	S	.	.	S	Bend	trans	82.8	47.1	174.2	-47.7	-19.7	0	0	0	116.7	L60 Y82	L60-N104 WeakPolarHBondContact CD1-OD1 3.4Å; L60-N104 HydrophobicContact CD2-CB 3.95Å; Y82-N104 WeakPolarHBondContact CB-O 3.16Å; Y82-N104 WeakPolarHBondContact CD1-O 3.22Å
105	F	68.4	Low	69.1	Low	94 Å²	94	69.2 Å²	69.2	41%	0.412	38%	0.384	S	S	.	.			trans	-116	136.9	168	-173.5	-113.1	0	0	0	110.1	Y82 P107	Y82-F105 HydrophobicContact CD2-CD2 4.25Å; Y82-F105 HydrophobicContact CG-CD2 4.36Å; F105-P107 HydrophobicContact CD1-CB 4.34Å; F105-P107 HydrophobicContact CE1-CB 4.27Å; F105-P107 WeakPolarHBondContact O-CD 3.38Å
106	I	73.7	Confident	71.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.369	C	S	.	.			trans	-94.1	102.7	166.8	-66.4	-162.8	0	0	0	107	Q58 P59 S62 Y82 I108 F145	Q58-I106 HydrophobicContact CB-CD1 3.58Å; P59-I106 WeakPolarHBondContact O-CD1 3.29Å; S62-I106 WeakPolarHBondContact O-CG2 3.33Å; Y82-I106 HydrophobicContact CD2-CB 4.38Å; Y82-I106 HydrophobicContact CE1-CD1 4.32Å; Y82-I106 HydrophobicContact CE1-CG1 3.96Å; Y82-I106 HydrophobicContact CE2-CB 3.64Å; Y82-I106 HydrophobicContact CE2-CD1 4.28Å; Y82-I106 HydrophobicContact CE2-CG1 3.82Å; Y82-I106 VanDerWaalsContact CZ-CG1 3.42Å; Y82-I106 WeakPolarHBondContact OH-CD1 3.44Å; Y82-I106 WeakPolarHBondContact OH-CG1 3.34Å; I106-I108 HydrophobicContact CG2-CG1 4.16Å; I106-I108 PolarHBondContact O-N 3.31Å; I106-F145 HydrophobicContact CG2-CE1 3.42Å; I106-F145 VanDerWaalsContact CG2-CE1 3.42Å; I106-F145 HydrophobicContact CG2-CZ 3.44Å; I106-F145 VanDerWaalsContact CG2-CZ 3.44Å
107	P	88.8	Confident	74.8	Confident	48 Å²	48	61.7 Å²	61.7	31%	0.312	34%	0.338	S	S	.	.			trans	-63	129.1	173.2	25.3	-34.3	0	0	0	110.3	S62 L63 G64 F105	S62-P107 VanDerWaalsContact O-CD 3.26Å; S62-P107 WeakPolarHBondContact O-CD 3.14Å; L63-P107 HydrophobicContact CD1-CB 3.97Å; L63-P107 HydrophobicContact CD1-CG 3.82Å; G64-P107 PolarHBondContact N-O 2.93Å; F105-P107 HydrophobicContact CD1-CB 4.34Å; F105-P107 HydrophobicContact CE1-CB 4.27Å; F105-P107 WeakPolarHBondContact O-CD 3.38Å
108	I	95	Very high	77.5	Confident	24 Å²	24	52.9 Å²	52.9	12%	0.123	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	114.3	175.8	-56.8	178.4	0	0	0	108.6	I55 G64 D66 L75 I106 A110 F145	I55-I108 HydrophobicContact CG2-CD1 4.28Å; G64-I108 CarbonylContact O-C 3.58Å; G64-I108 VanDerWaalsContact O-CA 3.28Å; G64-I108 WeakPolarHBondContact O-CA 3.36Å; D66-I108 HydrophobicContact CB-CG2 3.78Å; L75-I108 HydrophobicContact CD2-CB 3.71Å; L75-I108 HydrophobicContact CD2-CG2 3.49Å; L75-I108 VanDerWaalsContact CD2-CG2 3.49Å; I106-I108 HydrophobicContact CG2-CG1 4.16Å; I106-I108 PolarHBondContact O-N 3.31Å; I108-A110 PolarHBondContact O-N 3.13Å; I108-F145 HydrophobicContact CD1-CE2 4.32Å; I108-F145 HydrophobicContact CD1-CZ 4.11Å; I108-F145 HydrophobicContact CG1-CE2 4.42Å; I108-F145 HydrophobicContact CG1-CZ 3.94Å
109	A	96.9	Very high	80.2	Confident	31 Å²	31	54.1 Å²	54.1	26%	0.256	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.2	172.8	0	0	0	0	0	109.8	G64 A65 D66 Y138 F143	G64-A109 PolarHBondContact O-N 2.87Å; A65-A109 CarbonylContact C-O 3.53Å; A65-A109 WeakPolarHBondContact CA-O 3.3Å; D66-A109 PolarHBondContact N-O 3.12Å; A109-Y138 HydrophobicContact CB-CE2 4.48Å; A109-F143 HydrophobicContact CB-CE1 3.74Å; A109-F143 HydrophobicContact CB-CZ 3.93Å
110	A	98.1	Very high	82.8	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	133.5	-179.5	0	0	0	0	0	111.3	C69 L75 I108 V121 D127 V128 V129 Y138	C69-A110 HydrophobicContact CB-CB 4.34Å; L75-A110 HydrophobicContact CD1-CB 3.44Å; L75-A110 VanDerWaalsContact CD1-CB 3.44Å; L75-A110 HydrophobicContact CD2-CB 4.17Å; L75-A110 HydrophobicContact CG-CB 4.4Å; I108-A110 PolarHBondContact O-N 3.13Å; A110-V121 HydrophobicContact CB-CG1 4.39Å; A110-D127 WeakPolarHBondContact CB-O 3.47Å; A110-V128 HydrophobicContact CB-CB 4.08Å; A110-V128 HydrophobicContact CB-CG2 4.04Å; A110-V128 WeakPolarHBondContact O-CA 3.17Å; A110-V129 PolarHBondContact O-N 2.78Å; A110-Y138 PolarHBondContact O-OH 2.94Å
111	M	98.7	Very high	85.3	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.5	168.3	-168.1	179.9	69.7	0	0	110.3	D66 V67 G68 C69 V129 I136 P137 Y138	D66-M111 PolarHBondContact O-N 3.05Å; V67-M111 HydrophobicContact CB-CE 4.28Å; V67-M111 HydrophobicContact CG1-CE 3.42Å; V67-M111 VanDerWaalsContact CG1-CE 3.42Å; V67-M111 HydrophobicContact CG2-CE 4.32Å; G68-M111 CarbonylContact C-O 3.46Å; G68-M111 VanDerWaalsContact CA-O 3.28Å; G68-M111 WeakPolarHBondContact CA-O 3.28Å; G68-M111 PolarHBondContact N-O 3.2Å; C69-M111 PolarHBondContact N-O 2.85Å; M111-V129 VanDerWaalsContact CA-O 3.29Å; M111-V129 WeakPolarHBondContact CA-O 3.39Å; M111-V129 WeakPolarHBondContact CG-O 3.18Å; M111-I136 HydrophobicContact CE-CG1 4.02Å; M111-I136 HydrophobicContact CE-CG2 4.37Å; M111-I136 HydrophobicContact SD-CG2 4.14Å; M111-P137 WeakPolarHBondContact SD-CD 3.3Å; M111-P137 HydrophobicContact SD-CG 4.21Å; M111-Y138 HydrophobicContact CB-CE2 4.38Å
112	E	98.6	Very high	87.8	Confident	18 Å²	18	47.5 Å²	47.5	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	138.3	175.1	-179.6	44.8	-113.4	0	0	110.4	C69 G70 S114 L117 A118 V128 V129 I130 G131	C69-E112 PolarHBondContact N-OE2 3.43Å; G70-E112 WeakPolarHBondContact CA-OE2 3.38Å; G70-E112 PolarHBondContact N-OE2 3.19Å; E112-S114 PolarHBondContact OE1-N 2.99Å; E112-L117 HydrophobicContact CG-CB 3.61Å; E112-A118 HydrophobicContact CB-CB 4.32Å; E112-V128 HydrophobicContact CB-CG2 4.19Å; E112-V129 PolarHBondContact N-O 3.04Å; E112-I130 VanDerWaalsContact O-CA 3.23Å; E112-I130 WeakPolarHBondContact O-CA 3.42Å; E112-G131 PolarHBondContact O-N 3.02Å
113	R	98.4	Very high	90.3	Very high	100 Å²	100	48 Å²	48	38%	0.377	24%	0.242	S	C	.	.	S	Bend	trans	-76.7	-38.4	179.4	-176	65.7	-179.1	87.7	1.1	111.5	P115 G131 D132	R113-P115 WeakPolarHBondContact O-CD 3.41Å; R113-G131 VanDerWaalsContact CA-O 3.29Å; R113-G131 WeakPolarHBondContact CA-O 3.47Å; R113-G131 WeakPolarHBondContact CD-O 3.03Å; R113-D132 IonicContact NE-OD2 3.9Å; R113-D132 PolarHBondContact NE-OD2 2.69Å
114	S	98.2	Very high	92.4	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.035	23%	0.232	C	C	.	.			trans	-75.5	118.1	-179.2	168.9	0	0	0	0	111.1	D34 E112 K116 L117 A118	D34-S114 WeakPolarHBondContact OD1-CA 3.45Å; D34-S114 WeakPolarHBondContact OD1-CB 3.25Å; D34-S114 PolarHBondContact OD1-OG 3.31Å; E112-S114 PolarHBondContact OE1-N 2.99Å; S114-K116 PolarHBondContact O-N 2.75Å; S114-K116 PolarHBondContact OG-N 3.08Å; S114-L117 PolarHBondContact O-N 3.47Å; S114-L117 PolarHBondContact OG-N 2.92Å; S114-A118 WeakPolarHBondContact O-CB 3.36Å; S114-A118 PolarHBondContact O-N 3.32Å
115	P	98.3	Very high	94.3	Very high	56 Å²	56	49.4 Å²	49.4	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-32.4	174.9	-25	35.9	0	0	0	113	D34 R113 A118 E119 I130	D34-P115 WeakPolarHBondContact OD1-CD 3.22Å; R113-P115 WeakPolarHBondContact O-CD 3.41Å; P115-A118 PolarHBondContact O-N 3.03Å; P115-E119 WeakPolarHBondContact O-CB 3.15Å; P115-E119 PolarHBondContact O-N 2.94Å; P115-I130 HydrophobicContact CB-CD1 3.94Å; P115-I130 HydrophobicContact CG-CD1 4.31Å
116	K	98.2	Very high	95.6	Very high	105 Å²	105	46.7 Å²	46.7	46%	0.457	24%	0.242	S	C	.	.	H	α-helix	trans	-72.5	-37.6	179.7	-65.1	-54.5	-169.7	-177.5	0	113	D34 A37 S114 E119 I120	D34-K116 HydrophobicContact CB-CG 4.33Å; D34-K116 WeakPolarHBondContact O-CG 3.37Å; A37-K116 HydrophobicContact CB-CB 3.51Å; S114-K116 PolarHBondContact O-N 2.75Å; S114-K116 PolarHBondContact OG-N 3.08Å; K116-E119 IonicContact NZ-OE2 3.76Å; K116-I120 WeakPolarHBondContact O-CG1 3.43Å; K116-I120 PolarHBondContact O-N 2.8Å
117	L	98.1	Very high	96.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-72.1	-38.3	172.1	-71.7	172.1	0	0	0	111.5	Y33 A37 F40 E112 S114 E119 I120 V121	Y33-L117 HydrophobicContact CD1-CD1 3.92Å; Y33-L117 HydrophobicContact CG-CD1 4.47Å; A37-L117 HydrophobicContact CB-CD2 3.85Å; A37-L117 HydrophobicContact CB-CG 3.91Å; F40-L117 HydrophobicContact CD1-CD2 3.71Å; F40-L117 HydrophobicContact CE1-CD2 4.24Å; E112-L117 HydrophobicContact CG-CB 3.61Å; S114-L117 PolarHBondContact O-N 3.47Å; S114-L117 PolarHBondContact OG-N 2.92Å; L117-E119 VanDerWaalsContact C-N 3.34Å; L117-E119 PolarHBondContact O-N 3.02Å; L117-I120 HydrophobicContact CD2-CD1 4.41Å; L117-I120 WeakPolarHBondContact O-CB 3.35Å; L117-I120 PolarHBondContact O-N 2.67Å; L117-I120 VanDerWaalsContact O-N 3.13Å; L117-V121 WeakPolarHBondContact O-CG2 3.32Å; L117-V121 PolarHBondContact O-N 3.48Å
118	A	98.3	Very high	97.1	Very high	3 Å²	3	52.9 Å²	52.9	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-43.8	173.2	0	0	0	0	0	111.8	E112 S114 P115 I120 V121 Y122 V128 I130	E112-A118 HydrophobicContact CB-CB 4.32Å; S114-A118 WeakPolarHBondContact O-CB 3.36Å; S114-A118 PolarHBondContact O-N 3.32Å; P115-A118 PolarHBondContact O-N 3.03Å; A118-I120 VanDerWaalsContact C-N 3.28Å; A118-I120 PolarHBondContact O-N 2.94Å; A118-V121 WeakPolarHBondContact O-CB 3.45Å; A118-V121 PolarHBondContact O-N 2.97Å; A118-Y122 PolarHBondContact O-N 3.46Å; A118-V128 HydrophobicContact CB-CG1 4.03Å; A118-V128 HydrophobicContact CB-CG2 4.11Å; A118-V128 WeakPolarHBondContact O-CG1 3.29Å; A118-I130 HydrophobicContact CB-CD1 4.19Å; A118-I130 HydrophobicContact CB-CG1 3.69Å
119	E	98.4	Very high	97.2	Very high	101 Å²	101	54.7 Å²	54.7	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-56.7	-40.8	174.2	-178.7	175.9	-161.8	0	0	112.1	P115 K116 L117 Y122 N123	P115-E119 WeakPolarHBondContact O-CB 3.15Å; P115-E119 PolarHBondContact O-N 2.94Å; K116-E119 IonicContact NZ-OE2 3.76Å; L117-E119 VanDerWaalsContact C-N 3.34Å; L117-E119 PolarHBondContact O-N 3.02Å; E119-Y122 PolarHBondContact O-N 3.5Å; E119-N123 WeakPolarHBondContact O-CB 3.43Å; E119-N123 PolarHBondContact O-N 3.36Å; E119-N123 PolarHBondContact O-ND2 3.02Å; E119-N123 VanDerWaalsContact O-ND2 3.16Å
120	I	97.5	Very high	97.3	Very high	34 Å²	34	57.6 Å²	57.6	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-40.5	175.3	-68.6	169.9	0	0	0	111.5	A37 S41 N71 K116 L117 A118 N123 R124	A37-I120 HydrophobicContact CB-CD1 4.29Å; S41-I120 WeakPolarHBondContact OG-CG2 3.39Å; N71-I120 HydrophobicContact CB-CG2 4.32Å; K116-I120 WeakPolarHBondContact O-CG1 3.43Å; K116-I120 PolarHBondContact O-N 2.8Å; L117-I120 HydrophobicContact CD2-CD1 4.41Å; L117-I120 WeakPolarHBondContact O-CB 3.35Å; L117-I120 PolarHBondContact O-N 2.67Å; L117-I120 VanDerWaalsContact O-N 3.13Å; A118-I120 VanDerWaalsContact C-N 3.28Å; A118-I120 PolarHBondContact O-N 2.94Å; I120-N123 PolarHBondContact O-N 3.29Å; I120-R124 WeakPolarHBondContact O-CG 3.48Å; I120-R124 PolarHBondContact O-N 3.28Å
121	V	97.2	Very high	97.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-45.4	177.7	174.7	0	0	0	0	110.7	G70 L75 A110 L117 A118 N123 R124 F126 V128	G70-V121 VanDerWaalsContact O-CG2 3.29Å; G70-V121 WeakPolarHBondContact O-CG2 3.42Å; L75-V121 HydrophobicContact CD1-CG1 3.78Å; A110-V121 HydrophobicContact CB-CG1 4.39Å; L117-V121 WeakPolarHBondContact O-CG2 3.32Å; L117-V121 PolarHBondContact O-N 3.48Å; A118-V121 WeakPolarHBondContact O-CB 3.45Å; A118-V121 PolarHBondContact O-N 2.97Å; V121-N123 PolarHBondContact O-N 2.83Å; V121-R124 WeakPolarHBondContact O-CB 3.5Å; V121-R124 PolarHBondContact O-N 3.16Å; V121-F126 HydrophobicContact CG1-CB 3.78Å; V121-F126 PolarHBondContact O-N 3.24Å; V121-V128 HydrophobicContact CB-CB 4.22Å; V121-V128 HydrophobicContact CB-CG1 4.14Å; V121-V128 HydrophobicContact CB-CG2 4.4Å; V121-V128 HydrophobicContact CG1-CB 3.79Å; V121-V128 HydrophobicContact CG1-CG1 4.13Å; V121-V128 HydrophobicContact CG1-CG2 4.23Å
122	Y	97.2	Very high	97.3	Very high	152 Å²	152	60.1 Å²	60.1	60%	0.596	31%	0.312	S	S	*	.	H	α-helix	trans	-58.4	-46.8	175.2	-178.5	-100.7	0	0	0	111.9	A118 E119 R124 G125 F126	A118-Y122 PolarHBondContact O-N 3.46Å; E119-Y122 PolarHBondContact O-N 3.5Å; Y122-R124 PolarHBondContact O-N 3.37Å; Y122-R124 VanDerWaalsContact O-N 3.12Å; Y122-G125 WeakPolarHBondContact O-CA 3.4Å; Y122-G125 PolarHBondContact O-N 3.31Å; Y122-F126 WeakPolarHBondContact CA-O 3.36Å
123	N	96.4	Very high	97.3	Very high	116 Å²	116	60 Å²	60	62%	0.62	31%	0.312	S	S	*	.	H	α-helix	trans	-64.8	-16	177.1	-71.7	-27.2	0	0	0	113.7	E119 I120 V121 G125	E119-N123 WeakPolarHBondContact O-CB 3.43Å; E119-N123 PolarHBondContact O-N 3.36Å; E119-N123 PolarHBondContact O-ND2 3.02Å; E119-N123 VanDerWaalsContact O-ND2 3.16Å; I120-N123 PolarHBondContact O-N 3.29Å; V121-N123 PolarHBondContact O-N 2.83Å; N123-G125 VanDerWaalsContact C-N 3.31Å
124	R	93.1	Very high	97.3	Very high	76 Å²	76	55.6 Å²	55.6	29%	0.287	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0.2	171.1	-70.8	175	-176.6	-167	10.5	113.3	S41 N71 I120 V121 Y122 F126	S41-R124 PolarHBondContact OG-NH2 3.43Å; N71-R124 PolarHBondContact ND2-NH2 3.45Å; N71-R124 PolarHBondContact O-NE 2.9Å; N71-R124 PolarHBondContact O-NH1 3.36Å; I120-R124 WeakPolarHBondContact O-CG 3.48Å; I120-R124 PolarHBondContact O-N 3.28Å; V121-R124 WeakPolarHBondContact O-CB 3.5Å; V121-R124 PolarHBondContact O-N 3.16Å; Y122-R124 PolarHBondContact O-N 3.37Å; Y122-R124 VanDerWaalsContact O-N 3.12Å; R124-F126 HydrophobicContact CB-CD2 3.92Å; R124-F126 HydrophobicContact CB-CE2 4.14Å
125	G	93.3	Very high	97.3	Very high	69 Å²	69	63.7 Å²	63.7	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	23.5	177.4	0	0	0	0	0	114.6	Y122 N123	Y122-G125 WeakPolarHBondContact O-CA 3.4Å; Y122-G125 PolarHBondContact O-N 3.31Å; N123-G125 VanDerWaalsContact C-N 3.31Å
126	F	95.1	Very high	97.3	Very high	37 Å²	37	61.2 Å²	61.2	16%	0.162	31%	0.31	C	S	.	.			trans	-112.4	139.3	175.3	-61.9	-80.7	0	0	0	110.8	L75 V121 Y122 R124	L75-F126 HydrophobicContact CB-CD1 3.85Å; L75-F126 HydrophobicContact CB-CD2 4.19Å; L75-F126 HydrophobicContact CB-CE1 3.78Å; L75-F126 HydrophobicContact CB-CE2 4.14Å; L75-F126 HydrophobicContact CB-CG 4.06Å; L75-F126 HydrophobicContact CB-CZ 3.94Å; L75-F126 HydrophobicContact CD1-CB 4.2Å; L75-F126 HydrophobicContact CD1-CG 4.17Å; V121-F126 HydrophobicContact CG1-CB 3.78Å; V121-F126 PolarHBondContact O-N 3.24Å; Y122-F126 WeakPolarHBondContact CA-O 3.36Å; R124-F126 HydrophobicContact CB-CD2 3.92Å; R124-F126 HydrophobicContact CB-CE2 4.14Å
127	D	96.2	Very high	97.3	Very high	144 Å²	144	60 Å²	60	77%	0.77	31%	0.312	S	S	*	.			trans	-66.5	138.8	165.8	-65.6	-38.9	0	0	0	109.7	A110	A110-D127 WeakPolarHBondContact CB-O 3.47Å
128	V	97.6	Very high	97.3	Very high	34 Å²	34	61.4 Å²	61.4	21%	0.206	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	136.8	179.6	59.6	0	0	0	0	110.4	A110 E112 A118 V121	A110-V128 HydrophobicContact CB-CB 4.08Å; A110-V128 HydrophobicContact CB-CG2 4.04Å; A110-V128 WeakPolarHBondContact O-CA 3.17Å; E112-V128 HydrophobicContact CB-CG2 4.19Å; A118-V128 HydrophobicContact CB-CG1 4.03Å; A118-V128 HydrophobicContact CB-CG2 4.11Å; A118-V128 WeakPolarHBondContact O-CG1 3.29Å; V121-V128 HydrophobicContact CB-CB 4.22Å; V121-V128 HydrophobicContact CB-CG1 4.14Å; V121-V128 HydrophobicContact CB-CG2 4.4Å; V121-V128 HydrophobicContact CG1-CB 3.79Å; V121-V128 HydrophobicContact CG1-CG1 4.13Å; V121-V128 HydrophobicContact CG1-CG2 4.23Å
129	V	98.4	Very high	97.2	Very high	61 Å²	61	65.2 Å²	65.2	37%	0.37	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.2	174	177.1	0	0	0	0	109.1	A110 M111 E112 G131 P137 Y138	A110-V129 PolarHBondContact O-N 2.78Å; M111-V129 VanDerWaalsContact CA-O 3.29Å; M111-V129 WeakPolarHBondContact CA-O 3.39Å; M111-V129 WeakPolarHBondContact CG-O 3.18Å; E112-V129 PolarHBondContact N-O 3.04Å; V129-G131 PolarHBondContact O-N 3.32Å; V129-P137 HydrophobicContact CG1-CG 3.66Å; V129-Y138 HydrophobicContact CG2-CE1 4.22Å
130	I	98.5	Very high	97.2	Very high	93 Å²	93	63.2 Å²	63.2	48%	0.477	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.2	166.8	-62	171.2	0	0	0	108	E112 P115 A118	E112-I130 VanDerWaalsContact O-CA 3.23Å; E112-I130 WeakPolarHBondContact O-CA 3.42Å; P115-I130 HydrophobicContact CB-CD1 3.94Å; P115-I130 HydrophobicContact CG-CD1 4.31Å; A118-I130 HydrophobicContact CB-CD1 4.19Å; A118-I130 HydrophobicContact CB-CG1 3.69Å
131	G	98	Very high	97.3	Very high	12 Å²	12	67.5 Å²	67.5	12%	0.124	36%	0.36	C	S	.	.			trans	-158.9	166.9	-173.1	0	0	0	0	0	114.5	E112 R113 V129	E112-G131 PolarHBondContact O-N 3.02Å; R113-G131 VanDerWaalsContact CA-O 3.29Å; R113-G131 WeakPolarHBondContact CA-O 3.47Å; R113-G131 WeakPolarHBondContact CD-O 3.03Å; V129-G131 PolarHBondContact O-N 3.32Å
132	D	98.2	Very high	97.3	Very high	45 Å²	45	74.9 Å²	74.9	24%	0.241	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-105.7	133.5	179.5	-164	-57.3	0	0	0	110.4	R113 L134 R135 I136	R113-D132 IonicContact NE-OD2 3.9Å; R113-D132 PolarHBondContact NE-OD2 2.69Å; D132-L134 PolarHBondContact O-N 3.07Å; D132-L134 WeakPolarHBondContact OD1-CB 3.35Å; D132-L134 PolarHBondContact OD1-N 3.46Å; D132-R135 CarbonylContact O-C 3.51Å; D132-R135 PolarHBondContact O-N 2.94Å; D132-R135 VanDerWaalsContact O-O 3.12Å; D132-I136 PolarHBondContact O-N 3.2Å
133	I	98.6	Very high	97.4	Very high	14 Å²	14	68.2 Å²	68.2	7%	0.072	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.2	-179.2	-165	166.2	0	0	0	113	V67 R135 V151 I152 L155 A164 E167 L168	V67-I133 HydrophobicContact CG1-CB 4.31Å; V67-I133 HydrophobicContact CG1-CD1 3.68Å; V67-I133 HydrophobicContact CG1-CG1 3.64Å; I133-R135 VanDerWaalsContact C-N 3.29Å; I133-V151 HydrophobicContact CD1-CB 4.37Å; I133-V151 HydrophobicContact CD1-CG1 3.78Å; I133-I152 HydrophobicContact CD1-CG2 3.65Å; I133-L155 HydrophobicContact CG2-CD1 4.15Å; I133-L155 HydrophobicContact CG2-CD2 4.42Å; I133-A164 HydrophobicContact CD1-CB 4.36Å; I133-A164 HydrophobicContact CG1-CB 4.07Å; I133-A164 HydrophobicContact CG2-CB 4.15Å; I133-E167 WeakPolarHBondContact O-CB 3.29Å; I133-L168 HydrophobicContact CD1-CD1 4.29Å
134	L	98.5	Very high	97.5	Very high	8 Å²	8	64 Å²	64	4%	0.042	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-10.6	174.6	-58.1	177.8	0	0	0	113	D132 L155 R160 E163 A164 E167	D132-L134 PolarHBondContact O-N 3.07Å; D132-L134 WeakPolarHBondContact OD1-CB 3.35Å; D132-L134 PolarHBondContact OD1-N 3.46Å; L134-L155 HydrophobicContact CD1-CD2 4.33Å; L134-L155 HydrophobicContact CD2-CD1 4.01Å; L134-L155 HydrophobicContact CD2-CD2 4.47Å; L134-L155 HydrophobicContact CG-CD2 4.43Å; L134-R160 HydrophobicContact CD1-CB 4.44Å; L134-R160 HydrophobicContact CD1-CG 4.42Å; L134-R160 VanDerWaalsContact CD1-NH1 3.27Å; L134-R160 HydrophobicContact CD2-CB 4.35Å; L134-R160 WeakPolarHBondContact CD2-O 3.42Å; L134-E163 HydrophobicContact CD2-CB 3.96Å; L134-E163 HydrophobicContact CD2-CG 4.01Å; L134-A164 HydrophobicContact CD2-CB 3.86Å; L134-E167 WeakPolarHBondContact O-CG 3.43Å
135	R	98.2	Very high	97.7	Very high	175 Å²	175	60.4 Å²	60.4	66%	0.66	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-148.5	73.5	177.1	-64.8	-63.1	168.5	174.5	-5.7	109.6	D132 I133 P137 E163	D132-R135 CarbonylContact O-C 3.51Å; D132-R135 PolarHBondContact O-N 2.94Å; D132-R135 VanDerWaalsContact O-O 3.12Å; I133-R135 VanDerWaalsContact C-N 3.29Å; R135-P137 WeakPolarHBondContact O-CD 3.41Å; R135-E163 IonicContact CZ-OE1 3.13Å; R135-E163 IonicContact NE-OE1 2.67Å; R135-E163 IonicContact NH2-OE1 2.74Å; R135-E163 PolarHBondContact NH2-OE1 3.37Å
136	I	98.5	Very high	98	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.294	C	S	.	.			trans	-69.4	121.7	-175	-59.1	176.3	0	0	0	108.6	V67 M111 D132 Y138 E167 L168 R170 I171	V67-I136 HydrophobicContact CG1-CD1 4.19Å; V67-I136 HydrophobicContact CG2-CD1 4.26Å; M111-I136 HydrophobicContact CE-CG1 4.02Å; M111-I136 HydrophobicContact CE-CG2 4.37Å; M111-I136 HydrophobicContact SD-CG2 4.14Å; D132-I136 PolarHBondContact O-N 3.2Å; I136-Y138 HydrophobicContact CG2-CD2 3.31Å; I136-Y138 HydrophobicContact CG2-CE2 3.92Å; I136-Y138 HydrophobicContact CG2-CG 3.79Å; I136-Y138 PolarHBondContact O-N 3.5Å; I136-E167 HydrophobicContact CD1-CB 3.9Å; I136-E167 HydrophobicContact CG1-CB 4.04Å; I136-E167 PolarHBondContact N-OE2 2.74Å; I136-L168 HydrophobicContact CD1-CD2 3.86Å; I136-L168 HydrophobicContact CD1-CG 4.19Å; I136-R170 PolarHBondContact O-NH2 2.75Å; I136-I171 HydrophobicContact CB-CG2 4.33Å; I136-I171 HydrophobicContact CD1-CD1 4.41Å; I136-I171 HydrophobicContact CG2-CG2 4.02Å
137	P	97.7	Very high	98.1	Very high	78 Å²	78	55.9 Å²	55.9	51%	0.506	29%	0.286	S	S	.	.			trans	-78.7	35	-174.3	35.5	-37.2	0	0	0	112.6	M111 V129 R135	M111-P137 WeakPolarHBondContact SD-CD 3.3Å; M111-P137 HydrophobicContact SD-CG 4.21Å; V129-P137 HydrophobicContact CG1-CG 3.66Å; R135-P137 WeakPolarHBondContact O-CD 3.41Å
138	Y	97.9	Very high	98.3	Very high	32 Å²	32	49 Å²	49	13%	0.125	25%	0.25	C	C	.	.	S	Bend	trans	-112.8	148	176.1	-54.9	-35	0	0	0	111.3	A65 A109 A110 M111 V129 I136 F143 R170 I171	A65-Y138 HydrophobicContact CB-CE2 4.25Å; A109-Y138 HydrophobicContact CB-CE2 4.48Å; A110-Y138 PolarHBondContact O-OH 2.94Å; M111-Y138 HydrophobicContact CB-CE2 4.38Å; V129-Y138 HydrophobicContact CG2-CE1 4.22Å; I136-Y138 HydrophobicContact CG2-CD2 3.31Å; I136-Y138 HydrophobicContact CG2-CE2 3.92Å; I136-Y138 HydrophobicContact CG2-CG 3.79Å; I136-Y138 PolarHBondContact O-N 3.5Å; Y138-F143 AromaticContact CD2-CE2 3.72Å; Y138-F143 HydrophobicContact CD2-CE2 3.72Å; Y138-F143 AromaticContact CD2-CZ 3.82Å; Y138-F143 HydrophobicContact CD2-CZ 3.82Å; Y138-F143 HydrophobicContact CE2-CZ 4.23Å; Y138-F143 AromaticContact CG-CE2 3.83Å; Y138-F143 HydrophobicContact CG-CE2 3.83Å; Y138-F143 HydrophobicContact CG-CZ 4.01Å; Y138-R170 PolarHBondContact O-NH1 3Å; Y138-R170 PolarHBondContact O-NH2 3.35Å; Y138-I171 HydrophobicContact CD2-CD1 4.38Å
139	C	97.8	Very high	98.3	Very high	83 Å²	83	48.2 Å²	48.2	56%	0.561	24%	0.244	S	C	*	.			trans	-60.1	145.7	173.8	-71.3	0	0	0	0	110.9	R142	C139-R142 HydrophobicContact CB-CG 3.52Å
140	S	98.6	Very high	98.2	Very high	59 Å²	59	47.1 Å²	47.1	41%	0.413	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	150.5	174	-50.3	0	0	0	0	111.2	R142 R170	S140-R142 VanDerWaalsContact C-N 3.33Å; S140-R142 WeakPolarHBondContact O-CG 3.36Å; S140-R142 PolarHBondContact O-N 3.3Å; S140-R170 CarbonylContact C-O 3.51Å; S140-R170 WeakPolarHBondContact CA-O 3.49Å; S140-R170 WeakPolarHBondContact CB-O 3.34Å; S140-R170 WeakPolarHBondContact OG-CD 3.45Å; S140-R170 VanDerWaalsContact OG-CG 3.25Å; S140-R170 WeakPolarHBondContact OG-CG 3.49Å; S140-R170 PolarHBondContact OG-NH1 3.03Å
141	E	98.5	Very high	98.1	Very high	125 Å²	125	44 Å²	44	58%	0.584	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	35.4	169.9	-53.8	-176.3	129.7	0	0	115.5	R170 I171 L172	E141-R170 PolarHBondContact N-O 3.27Å; E141-I171 PolarHBondContact N-O 2.55Å; E141-L172 WeakPolarHBondContact CA-O 3.38Å
142	R	97.6	Very high	98.1	Very high	155 Å²	155	44.1 Å²	44.1	59%	0.585	22%	0.224	S	C	*	.			trans	-110.2	-27.3	-176.7	-58.8	-50.3	-69.2	-94.3	-6.8	114.9	C139 S140 I171	C139-R142 HydrophobicContact CB-CG 3.52Å; S140-R142 VanDerWaalsContact C-N 3.33Å; S140-R142 WeakPolarHBondContact O-CG 3.36Å; S140-R142 PolarHBondContact O-N 3.3Å; R142-I171 PolarHBondContact N-O 3.22Å
143	F	98.4	Very high	98	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.3	-173.8	-68.1	-88.2	0	0	0	111.3	L63 G64 A65 A109 Y138 I171 L172 R173	L63-F143 HydrophobicContact CD1-CE1 4.25Å; L63-F143 HydrophobicContact CD2-CD1 4.15Å; L63-F143 HydrophobicContact CD2-CE1 4.09Å; L63-F143 HydrophobicContact CG-CD1 3.69Å; L63-F143 HydrophobicContact CG-CE1 3.78Å; L63-F143 WeakPolarHBondContact O-CA 3.49Å; G64-F143 VanDerWaalsContact O-CD1 3.28Å; G64-F143 WeakPolarHBondContact O-CD1 3.39Å; G64-F143 WeakPolarHBondContact O-CE1 3.35Å; A65-F143 HydrophobicContact CB-CD1 3.69Å; A65-F143 HydrophobicContact CB-CD2 4.49Å; A65-F143 HydrophobicContact CB-CE1 3.73Å; A65-F143 HydrophobicContact CB-CG 4.08Å; A65-F143 HydrophobicContact CB-CZ 4.14Å; A109-F143 HydrophobicContact CB-CE1 3.74Å; A109-F143 HydrophobicContact CB-CZ 3.93Å; Y138-F143 AromaticContact CD2-CE2 3.72Å; Y138-F143 HydrophobicContact CD2-CE2 3.72Å; Y138-F143 AromaticContact CD2-CZ 3.82Å; Y138-F143 HydrophobicContact CD2-CZ 3.82Å; Y138-F143 HydrophobicContact CE2-CZ 4.23Å; Y138-F143 AromaticContact CG-CE2 3.83Å; Y138-F143 HydrophobicContact CG-CE2 3.83Å; Y138-F143 HydrophobicContact CG-CZ 4.01Å; F143-I171 HydrophobicContact CD2-CB 3.95Å; F143-I171 HydrophobicContact CD2-CD1 4.17Å; F143-I171 HydrophobicContact CD2-CG1 4.4Å; F143-I171 HydrophobicContact CE2-CB 4.49Å; F143-I171 PolarHBondContact N-O 3.36Å; F143-L172 HydrophobicContact CB-CD2 4.32Å; F143-L172 WeakPolarHBondContact O-CA 3.47Å; F143-R173 PolarHBondContact O-N 3.34Å
144	D	98.2	Very high	98	Very high	29 Å²	29	46.3 Å²	46.3	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-34.4	169.5	-67.8	-77.2	0	0	0	111	S62 L63 R173 G176 Q177	S62-D144 WeakPolarHBondContact CA-OD2 3.34Å; L63-D144 PolarHBondContact N-OD2 3.39Å; L63-D144 PolarHBondContact O-N 3.4Å; D144-R173 IonicContact OD1-CZ 2.69Å; D144-R173 IonicContact OD1-NE 2.99Å; D144-R173 PolarHBondContact OD1-NE 3.21Å; D144-R173 IonicContact OD1-NH2 3.26Å; D144-R173 PolarHBondContact OD1-NH2 3.45Å; D144-G176 CarbonylContact O-C 3.55Å; D144-G176 WeakPolarHBondContact O-CA 3.32Å; D144-Q177 PolarHBondContact O-N 3.34Å
145	F	98.5	Very high	97.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.5	176.4	69.7	-82.6	0	0	0	113.6	F54 Q58 L63 G64 A65 I106 I108 L147 Q177	F54-F145 HydrophobicContact CE1-CB 4.12Å; F54-F145 AromaticContact CE1-CD2 3.89Å; F54-F145 HydrophobicContact CE1-CD2 3.89Å; F54-F145 HydrophobicContact CE1-CG 4.33Å; F54-F145 HydrophobicContact CZ-CB 4.12Å; Q58-F145 HydrophobicContact CB-CD1 4.17Å; Q58-F145 HydrophobicContact CB-CE1 4.13Å; Q58-F145 HydrophobicContact CG-CB 4.41Å; Q58-F145 HydrophobicContact CG-CD1 3.58Å; Q58-F145 HydrophobicContact CG-CD2 4.34Å; Q58-F145 HydrophobicContact CG-CE1 3.81Å; Q58-F145 HydrophobicContact CG-CG 3.86Å; Q58-F145 HydrophobicContact CG-CZ 4.26Å; L63-F145 PolarHBondContact O-N 3.23Å; G64-F145 CarbonylContact C-O 3.43Å; G64-F145 WeakPolarHBondContact CA-O 3.46Å; A65-F145 PolarHBondContact N-O 2.8Å; I106-F145 HydrophobicContact CG2-CE1 3.42Å; I106-F145 VanDerWaalsContact CG2-CE1 3.42Å; I106-F145 HydrophobicContact CG2-CZ 3.44Å; I106-F145 VanDerWaalsContact CG2-CZ 3.44Å; I108-F145 HydrophobicContact CD1-CE2 4.32Å; I108-F145 HydrophobicContact CD1-CZ 4.11Å; I108-F145 HydrophobicContact CG1-CE2 4.42Å; I108-F145 HydrophobicContact CG1-CZ 3.94Å; F145-L147 HydrophobicContact CE2-CG 4.5Å; F145-Q177 CarbonylContact C-O 3.57Å; F145-Q177 WeakPolarHBondContact CA-O 3.47Å; F145-Q177 VanDerWaalsContact CB-O 3.22Å; F145-Q177 WeakPolarHBondContact CB-O 3.44Å
146	F	98.6	Very high	97.7	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156	165.7	73.4	-108.4	0	0	0	112.4	A65 C148 L168 I171 L172 Q177 G178 L179 I180	A65-F146 HydrophobicContact CB-CB 4.3Å; A65-F146 CarbonylContact O-C 3.04Å; A65-F146 WeakPolarHBondContact O-CA 3.22Å; F146-C148 HydrophobicContact CD2-CB 4.13Å; F146-C148 HydrophobicContact CE2-CB 4.08Å; F146-L168 HydrophobicContact CD1-CB 4.19Å; F146-L168 WeakPolarHBondContact CD1-O 3.34Å; F146-L168 HydrophobicContact CD2-CD2 3.92Å; F146-L168 HydrophobicContact CE1-CB 3.75Å; F146-L168 WeakPolarHBondContact CE1-O 3.38Å; F146-L168 HydrophobicContact CE2-CB 4.19Å; F146-L168 HydrophobicContact CE2-CD1 4.01Å; F146-L168 HydrophobicContact CE2-CD2 4.16Å; F146-L168 HydrophobicContact CE2-CG 4.37Å; F146-L168 HydrophobicContact CG-CD2 4.14Å; F146-L168 HydrophobicContact CZ-CB 3.76Å; F146-L168 HydrophobicContact CZ-CD1 4.22Å; F146-L168 HydrophobicContact CZ-CG 4.41Å; F146-I171 HydrophobicContact CB-CD1 4.37Å; F146-L172 HydrophobicContact CD1-CD1 3.57Å; F146-L172 HydrophobicContact CD1-CD2 3.82Å; F146-L172 HydrophobicContact CD1-CG 3.62Å; F146-L172 HydrophobicContact CE1-CD1 3.48Å; F146-L172 VanDerWaalsContact CE1-CD1 3.48Å; F146-L172 HydrophobicContact CE1-CG 4.01Å; F146-Q177 PolarHBondContact N-O 3.45Å; F146-G178 VanDerWaalsContact CE1-CA 3.41Å; F146-L179 PolarHBondContact O-N 3.07Å; F146-I180 HydrophobicContact CE2-CD1 4.31Å; F146-I180 HydrophobicContact CE2-CG1 3.66Å; F146-I180 HydrophobicContact CZ-CD1 4.25Å; F146-I180 HydrophobicContact CZ-CG1 4.04Å
147	L	98.7	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.3	164.6	-52.9	177.5	0	0	0	108.8	V51 F54 I55 A65 D66 V67 Y74 F145 I149 L179	V51-L147 HydrophobicContact CG1-CD1 4.24Å; V51-L147 HydrophobicContact CG1-CD2 4.06Å; F54-L147 HydrophobicContact CD1-CD2 3.6Å; F54-L147 HydrophobicContact CE1-CD2 3.77Å; I55-L147 HydrophobicContact CD1-CD1 3.71Å; I55-L147 HydrophobicContact CG1-CD1 3.97Å; I55-L147 HydrophobicContact CG1-CD2 4.17Å; A65-L147 PolarHBondContact O-N 2.88Å; D66-L147 HydrophobicContact CB-CB 4.47Å; D66-L147 HydrophobicContact CB-CD1 4.44Å; V67-L147 PolarHBondContact N-O 2.9Å; Y74-L147 HydrophobicContact CG-CD1 4.35Å; F145-L147 HydrophobicContact CE2-CG 4.5Å; L147-I149 HydrophobicContact CB-CG1 4.22Å; L147-L179 HydrophobicContact CD2-CB 4.15Å; L147-L179 HydrophobicContact CD2-CD2 4.21Å
148	C	98.7	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	86.4	171.5	170.2	0	0	0	0	108	F146 L168 L179 I180 Q181	F146-C148 HydrophobicContact CD2-CB 4.13Å; F146-C148 HydrophobicContact CE2-CB 4.08Å; C148-L168 HydrophobicContact CB-CD1 3.81Å; C148-L168 HydrophobicContact CB-CD2 4.24Å; C148-L179 PolarHBondContact N-O 2.86Å; C148-I180 HydrophobicContact CB-CG1 4.23Å; C148-I180 WeakPolarHBondContact O-CA 3.29Å; C148-Q181 PolarHBondContact O-N 2.87Å
149	I	98	Very high	97.2	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.087	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.2	-165.8	-51.1	-58.4	0	0	0	110.7	V51 Y74 L147 L179 Q181	V51-I149 HydrophobicContact CG1-CD1 4.39Å; V51-I149 HydrophobicContact CG1-CG1 4.39Å; V51-I149 HydrophobicContact CG2-CD1 3.9Å; V51-I149 HydrophobicContact CG2-CG1 4.33Å; Y74-I149 HydrophobicContact CD2-CG1 4.37Å; Y74-I149 HydrophobicContact CE2-CB 3.89Å; Y74-I149 HydrophobicContact CE2-CG1 3.75Å; Y74-I149 HydrophobicContact CE2-CG2 3.85Å; L147-I149 HydrophobicContact CB-CG1 4.22Å; I149-L179 HydrophobicContact CD1-CD2 4.1Å; I149-L179 HydrophobicContact CD1-CG 4.01Å; I149-Q181 HydrophobicContact CD1-CB 3.93Å; I149-Q181 HydrophobicContact CD1-CG 3.9Å; I149-Q181 HydrophobicContact CG2-CB 4.23Å
150	A	96	Very high	97.2	Very high	37 Å²	37	42.8 Å²	42.8	31%	0.306	23%	0.226	S	C	.	.	S	Bend	trans	56.6	54.1	-176.9	0	0	0	0	0	112.6	H153 Q181	A150-H153 WeakPolarHBondContact CA-NE2 3.42Å; A150-H153 PolarHBondContact O-NE2 3.05Å; A150-Q181 WeakPolarHBondContact CA-O 3.37Å; A150-Q181 PolarHBondContact N-O 3.21Å
151	V	98.1	Very high	97.1	Very high	27 Å²	27	43.4 Å²	43.4	16%	0.164	22%	0.219	C	C	.	.			trans	-124.5	-64.8	-178	-170.5	0	0	0	0	111.7	I133 H153 H154	I133-V151 HydrophobicContact CD1-CB 4.37Å; I133-V151 HydrophobicContact CD1-CG1 3.78Å; V151-H153 PolarHBondContact O-N 3.4Å; V151-H154 VanDerWaalsContact O-CB 3.3Å; V151-H154 WeakPolarHBondContact O-CB 3.29Å; V151-H154 PolarHBondContact O-CD2 2.92Å; V151-H154 PolarHBondContact O-N 3.08Å
152	I	97.9	Very high	97.1	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.082	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-62.8	-19.9	-171.1	60.6	168	0	0	0	115	I133 H154 L155 R161 A164 V165 I180 V182	I133-I152 HydrophobicContact CD1-CG2 3.65Å; I152-H154 PolarHBondContact O-N 3.14Å; I152-L155 HydrophobicContact CB-CD1 4.37Å; I152-L155 HydrophobicContact CG2-CD1 4.42Å; I152-L155 WeakPolarHBondContact O-CB 3.48Å; I152-L155 PolarHBondContact O-N 2.73Å; I152-L155 VanDerWaalsContact O-N 3.11Å; I152-R161 WeakPolarHBondContact O-CG 3.36Å; I152-A164 HydrophobicContact CG2-CB 3.83Å; I152-V165 HydrophobicContact CD1-CG2 4.23Å; I152-I180 HydrophobicContact CD1-CG2 3.69Å; I152-I180 HydrophobicContact CG1-CG2 4.21Å; I152-V182 HydrophobicContact CD1-CG1 3.87Å; I152-V182 HydrophobicContact CG1-CG1 3.46Å; I152-V182 VanDerWaalsContact CG1-CG1 3.46Å
153	H	96.1	Very high	97.2	Very high	50 Å²	50	37.4 Å²	37.4	23%	0.231	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-68.7	-9.3	173.4	62.9	170.9	0	0	0	114	A150 V151 L155 V182 W183	A150-H153 WeakPolarHBondContact CA-NE2 3.42Å; A150-H153 PolarHBondContact O-NE2 3.05Å; V151-H153 PolarHBondContact O-N 3.4Å; H153-L155 VanDerWaalsContact C-N 3.33Å; H153-V182 HydrophobicContact CB-CB 4.37Å; H153-V182 HydrophobicContact CB-CG1 4.39Å; H153-W183 AromaticContact CE1-CD1 3.32Å; H153-W183 AromaticContact CE1-CD2 3.56Å; H153-W183 AromaticContact CE1-CE2 3.64Å; H153-W183 AromaticContact CE1-CG 3.4Å; H153-W183 VanDerWaalsContact CE1-CG 3.4Å; H153-W183 AromaticContact CE1-NE1 3.45Å; H153-W183 PolarHBondContact CE1-NE1 3.17Å; H153-W183 WeakPolarHBondContact ND1-CB 3.21Å; H153-W183 AromaticContact ND1-CD1 3.59Å; H153-W183 AromaticContact ND1-CD2 3.7Å; H153-W183 AromaticContact ND1-CG 3.28Å; H153-W183 VanDerWaalsContact ND1-CG 3.28Å; H153-W183 PolarHBondContact ND1-N 3.18Å
154	H	97	Very high	97.2	Very high	54 Å²	54	36.9 Å²	36.9	25%	0.25	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-81.1	-15.1	171	-69.5	-59.1	0	0	0	112.9	V29 Y33 V151 I152 S156	V29-H154 HydrophobicContact CB-CB 4.45Å; V29-H154 HydrophobicContact CG1-CB 3.7Å; V29-H154 HydrophobicContact CG2-CB 3.93Å; Y33-H154 AromaticContact CE2-CE1 3.8Å; Y33-H154 AromaticContact CE2-NE2 3.67Å; Y33-H154 AromaticContact CZ-NE2 3.82Å; Y33-H154 PolarHBondContact OH-NE2 3.45Å; Y33-H154 VanDerWaalsContact OH-NE2 3.12Å; V151-H154 VanDerWaalsContact O-CB 3.3Å; V151-H154 WeakPolarHBondContact O-CB 3.29Å; V151-H154 PolarHBondContact O-CD2 2.92Å; V151-H154 PolarHBondContact O-N 3.08Å; I152-H154 PolarHBondContact O-N 3.14Å; H154-S156 PolarHBondContact O-N 3.49Å
155	L	96.7	Very high	97.2	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.068	21%	0.206	C	C	.	.			trans	-77.6	124.1	176.9	-59.3	169.8	0	0	0	109.6	I133 L134 I152 H153 T157 R160 R161 A164	I133-L155 HydrophobicContact CG2-CD1 4.15Å; I133-L155 HydrophobicContact CG2-CD2 4.42Å; L134-L155 HydrophobicContact CD1-CD2 4.33Å; L134-L155 HydrophobicContact CD2-CD1 4.01Å; L134-L155 HydrophobicContact CD2-CD2 4.47Å; L134-L155 HydrophobicContact CG-CD2 4.43Å; I152-L155 HydrophobicContact CB-CD1 4.37Å; I152-L155 HydrophobicContact CG2-CD1 4.42Å; I152-L155 WeakPolarHBondContact O-CB 3.48Å; I152-L155 PolarHBondContact O-N 2.73Å; I152-L155 VanDerWaalsContact O-N 3.11Å; H153-L155 VanDerWaalsContact C-N 3.33Å; L155-T157 VanDerWaalsContact C-N 3.3Å; L155-T157 PolarHBondContact O-N 3.3Å; L155-R160 HydrophobicContact CB-CB 4.2Å; L155-R161 HydrophobicContact CB-CG 3.75Å; L155-R161 HydrophobicContact CD1-CG 4.4Å; L155-R161 PolarHBondContact O-NH1 3.22Å; L155-A164 HydrophobicContact CD1-CB 3.51Å
156	S	94.1	Very high	97.2	Very high	19 Å²	19	43 Å²	43	13%	0.133	23%	0.232	C	C	.	.	S	Bend	trans	-74.9	-15.9	-164.8	59	0	0	0	0	114.4	P21 E25 H154	P21-S156 WeakPolarHBondContact CA-OG 3.44Å; P21-S156 WeakPolarHBondContact CB-OG 3.21Å; P21-S156 PolarHBondContact O-OG 2.86Å; E25-S156 WeakPolarHBondContact OE1-CB 3.39Å; E25-S156 PolarHBondContact OE1-N 2.98Å; E25-S156 PolarHBondContact OE1-OG 2.94Å; H154-S156 PolarHBondContact O-N 3.49Å
157	T	93.5	Very high	97.2	Very high	36 Å²	36	43.6 Å²	43.6	22%	0.221	24%	0.235	C	C	.	.	S	Bend	trans	-127.6	151.1	-179.7	66.6	0	0	0	0	111.9	F19 P21 L155 A159 R160 R161	F19-T157 HydrophobicContact CE1-CG2 4.35Å; F19-T157 HydrophobicContact CE2-CG2 4.3Å; F19-T157 HydrophobicContact CZ-CG2 3.68Å; P21-T157 HydrophobicContact CB-CG2 3.9Å; L155-T157 VanDerWaalsContact C-N 3.3Å; L155-T157 PolarHBondContact O-N 3.3Å; T157-A159 VanDerWaalsContact C-N 3.27Å; T157-A159 PolarHBondContact O-N 3Å; T157-R160 PolarHBondContact O-N 3.17Å; T157-R160 WeakPolarHBondContact OG1-CB 3.14Å; T157-R160 WeakPolarHBondContact OG1-CD 3.31Å; T157-R160 VanDerWaalsContact OG1-CG 3.24Å; T157-R160 WeakPolarHBondContact OG1-CG 3.33Å; T157-R160 PolarHBondContact OG1-N 3.47Å; T157-R161 WeakPolarHBondContact O-CG 3.01Å; T157-R161 PolarHBondContact O-N 2.91Å
158	M	93.9	Very high	97.2	Very high	131 Å²	131	43.6 Å²	43.6	65%	0.645	24%	0.235	S	C	*	.	H	α-helix	trans	-58.6	-40	173.8	-174.8	175.3	70.4	0	0	112	R160 R161 I162	M158-R160 PolarHBondContact O-N 3.11Å; M158-R161 PolarHBondContact O-N 3.45Å; M158-I162 HydrophobicContact CG-CD1 3.99Å; M158-I162 WeakPolarHBondContact O-CG1 3.33Å; M158-I162 PolarHBondContact O-N 3.12Å
159	A	95.8	Very high	97.2	Very high	69 Å²	69	46.3 Å²	46.3	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-60.3	-46	179.1	0	0	0	0	0	111.8	T157 I162 E163	T157-A159 VanDerWaalsContact C-N 3.27Å; T157-A159 PolarHBondContact O-N 3Å; A159-I162 PolarHBondContact O-N 3.29Å; A159-E163 PolarHBondContact O-N 3.44Å
160	R	97.3	Very high	97.2	Very high	39 Å²	39	48.9 Å²	48.9	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-38.2	176.6	-68.5	171.9	71.7	73.7	-6.7	111.8	E25 L134 L155 T157 M158 I162 E163 A164	E25-R160 WeakPolarHBondContact OE1-CD 3.13Å; E25-R160 IonicContact OE1-CZ 3.44Å; E25-R160 IonicContact OE1-NE 3.37Å; E25-R160 PolarHBondContact OE1-NE 3.22Å; E25-R160 IonicContact OE2-CZ 3.94Å; E25-R160 VanDerWaalsContact OE2-CZ 3.26Å; E25-R160 IonicContact OE2-NE 2.94Å; E25-R160 PolarHBondContact OE2-NE 3.5Å; E25-R160 IonicContact OE2-NH2 3.91Å; E25-R160 PolarHBondContact OE2-NH2 3.24Å; L134-R160 HydrophobicContact CD1-CB 4.44Å; L134-R160 HydrophobicContact CD1-CG 4.42Å; L134-R160 VanDerWaalsContact CD1-NH1 3.27Å; L134-R160 HydrophobicContact CD2-CB 4.35Å; L134-R160 WeakPolarHBondContact CD2-O 3.42Å; L155-R160 HydrophobicContact CB-CB 4.2Å; T157-R160 PolarHBondContact O-N 3.17Å; T157-R160 WeakPolarHBondContact OG1-CB 3.14Å; T157-R160 WeakPolarHBondContact OG1-CD 3.31Å; T157-R160 VanDerWaalsContact OG1-CG 3.24Å; T157-R160 WeakPolarHBondContact OG1-CG 3.33Å; T157-R160 PolarHBondContact OG1-N 3.47Å; M158-R160 PolarHBondContact O-N 3.11Å; R160-I162 VanDerWaalsContact C-N 3.33Å; R160-I162 PolarHBondContact O-N 3.08Å; R160-E163 PolarHBondContact O-N 3.15Å; R160-A164 PolarHBondContact O-N 3.12Å
161	R	97.9	Very high	97.4	Very high	72 Å²	72	47.1 Å²	47.1	27%	0.272	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-41	172.9	-70.7	-171.4	-63.1	-100.4	10.8	112.4	I152 L155 T157 M158 A164 V165 D241	I152-R161 WeakPolarHBondContact O-CG 3.36Å; L155-R161 HydrophobicContact CB-CG 3.75Å; L155-R161 HydrophobicContact CD1-CG 4.4Å; L155-R161 PolarHBondContact O-NH1 3.22Å; T157-R161 WeakPolarHBondContact O-CG 3.01Å; T157-R161 PolarHBondContact O-N 2.91Å; M158-R161 PolarHBondContact O-N 3.45Å; R161-A164 PolarHBondContact O-N 3.4Å; R161-V165 WeakPolarHBondContact O-CG2 3.3Å; R161-V165 PolarHBondContact O-N 3.25Å; R161-V165 VanDerWaalsContact O-N 3.13Å; R161-D241 IonicContact NH1-OD1 3.93Å
162	I	98.1	Very high	97.4	Very high	89 Å²	89	46.9 Å²	46.9	46%	0.456	25%	0.249	S	C	.	.	H	α-helix	trans	-66	-44	175.2	-68.8	166.8	0	0	0	110.7	M158 A159 R160 A164 V165 N166	M158-I162 HydrophobicContact CG-CD1 3.99Å; M158-I162 WeakPolarHBondContact O-CG1 3.33Å; M158-I162 PolarHBondContact O-N 3.12Å; A159-I162 PolarHBondContact O-N 3.29Å; R160-I162 VanDerWaalsContact C-N 3.33Å; R160-I162 PolarHBondContact O-N 3.08Å; I162-A164 VanDerWaalsContact C-N 3.33Å; I162-A164 PolarHBondContact O-N 3.48Å; I162-V165 PolarHBondContact O-N 3.4Å; I162-N166 VanDerWaalsContact O-CG 3.31Å; I162-N166 PolarHBondContact O-N 2.9Å; I162-N166 PolarHBondContact O-ND2 3.14Å
163	E	98.5	Very high	97.4	Very high	65 Å²	65	51.6 Å²	51.6	30%	0.304	27%	0.266	S	S	.	.	H	α-helix	trans	-58	-44	176	-177.3	175.5	-168.3	0	0	111.8	L134 R135 A159 R160 V165 N166 E167	L134-E163 HydrophobicContact CD2-CB 3.96Å; L134-E163 HydrophobicContact CD2-CG 4.01Å; R135-E163 IonicContact CZ-OE1 3.13Å; R135-E163 IonicContact NE-OE1 2.67Å; R135-E163 IonicContact NH2-OE1 2.74Å; R135-E163 PolarHBondContact NH2-OE1 3.37Å; A159-E163 PolarHBondContact O-N 3.44Å; R160-E163 PolarHBondContact O-N 3.15Å; E163-V165 PolarHBondContact O-N 3.41Å; E163-N166 WeakPolarHBondContact O-CB 3.47Å; E163-N166 PolarHBondContact O-N 2.86Å; E163-E167 PolarHBondContact O-N 3.48Å
164	A	98.7	Very high	97.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-43	174.9	0	0	0	0	0	113	I133 L134 I152 L155 R160 R161 I162 N166 E167 L168	I133-A164 HydrophobicContact CD1-CB 4.36Å; I133-A164 HydrophobicContact CG1-CB 4.07Å; I133-A164 HydrophobicContact CG2-CB 4.15Å; L134-A164 HydrophobicContact CD2-CB 3.86Å; I152-A164 HydrophobicContact CG2-CB 3.83Å; L155-A164 HydrophobicContact CD1-CB 3.51Å; R160-A164 PolarHBondContact O-N 3.12Å; R161-A164 PolarHBondContact O-N 3.4Å; I162-A164 VanDerWaalsContact C-N 3.33Å; I162-A164 PolarHBondContact O-N 3.48Å; A164-N166 VanDerWaalsContact C-N 3.3Å; A164-N166 PolarHBondContact O-N 2.96Å; A164-E167 PolarHBondContact O-N 2.86Å; A164-L168 WeakPolarHBondContact O-CB 3.36Å; A164-L168 VanDerWaalsContact O-CG 3.3Å; A164-L168 WeakPolarHBondContact O-CG 3.38Å; A164-L168 PolarHBondContact O-N 3.17Å
165	V	98.8	Very high	97.5	Very high	58 Å²	58	55.7 Å²	55.7	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-38	176.4	171.9	0	0	0	0	111.1	I152 R161 I162 E163 L168 A169 I180	I152-V165 HydrophobicContact CD1-CG2 4.23Å; R161-V165 WeakPolarHBondContact O-CG2 3.3Å; R161-V165 PolarHBondContact O-N 3.25Å; R161-V165 VanDerWaalsContact O-N 3.13Å; I162-V165 PolarHBondContact O-N 3.4Å; E163-V165 PolarHBondContact O-N 3.41Å; V165-L168 PolarHBondContact O-N 2.91Å; V165-A169 WeakPolarHBondContact O-CB 3.49Å; V165-A169 PolarHBondContact O-N 3.1Å; V165-I180 HydrophobicContact CG2-CD1 4.11Å
166	N	98.7	Very high	97.5	Very high	99 Å²	99	56 Å²	56	53%	0.529	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-42.4	175.7	-69.5	-27.9	0	0	0	112	I162 E163 A164 A169 R170	I162-N166 VanDerWaalsContact O-CG 3.31Å; I162-N166 PolarHBondContact O-N 2.9Å; I162-N166 PolarHBondContact O-ND2 3.14Å; E163-N166 WeakPolarHBondContact O-CB 3.47Å; E163-N166 PolarHBondContact O-N 2.86Å; A164-N166 VanDerWaalsContact C-N 3.3Å; A164-N166 PolarHBondContact O-N 2.96Å; N166-A169 PolarHBondContact O-N 2.8Å; N166-R170 WeakPolarHBondContact O-CB 3.33Å; N166-R170 PolarHBondContact O-N 2.83Å
167	E	98.7	Very high	97.7	Very high	25 Å²	25	60.2 Å²	60.2	12%	0.117	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-41.5	175.2	-83.7	-67	103.9	0	0	112.5	I133 L134 I136 E163 A164 A169 R170 I171	I133-E167 WeakPolarHBondContact O-CB 3.29Å; L134-E167 WeakPolarHBondContact O-CG 3.43Å; I136-E167 HydrophobicContact CD1-CB 3.9Å; I136-E167 HydrophobicContact CG1-CB 4.04Å; I136-E167 PolarHBondContact N-OE2 2.74Å; E163-E167 PolarHBondContact O-N 3.48Å; A164-E167 PolarHBondContact O-N 2.86Å; E167-A169 VanDerWaalsContact C-N 3.33Å; E167-A169 PolarHBondContact O-N 3.3Å; E167-R170 WeakPolarHBondContact O-CB 3.17Å; E167-R170 PolarHBondContact O-N 3.43Å; E167-R170 WeakPolarHBondContact OE1-CD 3.41Å; E167-R170 IonicContact OE1-CZ 3.74Å; E167-R170 IonicContact OE1-NE 2.82Å; E167-R170 PolarHBondContact OE1-NE 3.44Å; E167-R170 IonicContact OE1-NH2 3.77Å; E167-R170 IonicContact OE2-CZ 3.56Å; E167-R170 IonicContact OE2-NE 3.39Å; E167-R170 PolarHBondContact OE2-NE 3.43Å; E167-R170 IonicContact OE2-NH2 2.83Å; E167-R170 PolarHBondContact OE2-NH2 3.31Å; E167-I171 PolarHBondContact O-N 3.18Å
168	L	98.8	Very high	98	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-40.8	173.8	-73	169.6	0	0	0	111.9	V67 I133 I136 F146 C148 A164 V165 I171 I180	V67-L168 HydrophobicContact CB-CD2 3.81Å; V67-L168 HydrophobicContact CG1-CD2 3.76Å; V67-L168 HydrophobicContact CG2-CD2 3.91Å; I133-L168 HydrophobicContact CD1-CD1 4.29Å; I136-L168 HydrophobicContact CD1-CD2 3.86Å; I136-L168 HydrophobicContact CD1-CG 4.19Å; F146-L168 HydrophobicContact CD1-CB 4.19Å; F146-L168 WeakPolarHBondContact CD1-O 3.34Å; F146-L168 HydrophobicContact CD2-CD2 3.92Å; F146-L168 HydrophobicContact CE1-CB 3.75Å; F146-L168 WeakPolarHBondContact CE1-O 3.38Å; F146-L168 HydrophobicContact CE2-CB 4.19Å; F146-L168 HydrophobicContact CE2-CD1 4.01Å; F146-L168 HydrophobicContact CE2-CD2 4.16Å; F146-L168 HydrophobicContact CE2-CG 4.37Å; F146-L168 HydrophobicContact CG-CD2 4.14Å; F146-L168 HydrophobicContact CZ-CB 3.76Å; F146-L168 HydrophobicContact CZ-CD1 4.22Å; F146-L168 HydrophobicContact CZ-CG 4.41Å; C148-L168 HydrophobicContact CB-CD1 3.81Å; C148-L168 HydrophobicContact CB-CD2 4.24Å; A164-L168 WeakPolarHBondContact O-CB 3.36Å; A164-L168 VanDerWaalsContact O-CG 3.3Å; A164-L168 WeakPolarHBondContact O-CG 3.38Å; A164-L168 PolarHBondContact O-N 3.17Å; V165-L168 PolarHBondContact O-N 2.91Å; L168-I171 WeakPolarHBondContact O-CG1 3.38Å; L168-I180 HydrophobicContact CD1-CD1 4.21Å; L168-I180 HydrophobicContact CD1-CG1 4.48Å
169	A	98.5	Very high	98.2	Very high	57 Å²	57	55.8 Å²	55.8	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-39.7	175.4	0	0	0	0	0	111.6	V165 N166 E167 I171 L172	V165-A169 WeakPolarHBondContact O-CB 3.49Å; V165-A169 PolarHBondContact O-N 3.1Å; N166-A169 PolarHBondContact O-N 2.8Å; E167-A169 VanDerWaalsContact C-N 3.33Å; E167-A169 PolarHBondContact O-N 3.3Å; A169-I171 VanDerWaalsContact C-N 3.27Å; A169-I171 PolarHBondContact O-N 2.85Å; A169-L172 PolarHBondContact O-N 3.46Å; A169-L172 VanDerWaalsContact O-N 3.15Å
170	R	98.7	Very high	98.3	Very high	71 Å²	71	55.4 Å²	55.4	27%	0.268	31%	0.31	S	S	.	.	H	α-helix	trans	-57.4	-38.1	-179.3	-177.3	-174.4	63.7	70.6	0.1	112.7	I136 Y138 S140 E141 N166 E167 L172	I136-R170 PolarHBondContact O-NH2 2.75Å; Y138-R170 PolarHBondContact O-NH1 3Å; Y138-R170 PolarHBondContact O-NH2 3.35Å; S140-R170 CarbonylContact C-O 3.51Å; S140-R170 WeakPolarHBondContact CA-O 3.49Å; S140-R170 WeakPolarHBondContact CB-O 3.34Å; S140-R170 WeakPolarHBondContact OG-CD 3.45Å; S140-R170 VanDerWaalsContact OG-CG 3.25Å; S140-R170 WeakPolarHBondContact OG-CG 3.49Å; S140-R170 PolarHBondContact OG-NH1 3.03Å; E141-R170 PolarHBondContact N-O 3.27Å; N166-R170 WeakPolarHBondContact O-CB 3.33Å; N166-R170 PolarHBondContact O-N 2.83Å; E167-R170 WeakPolarHBondContact O-CB 3.17Å; E167-R170 PolarHBondContact O-N 3.43Å; E167-R170 WeakPolarHBondContact OE1-CD 3.41Å; E167-R170 IonicContact OE1-CZ 3.74Å; E167-R170 IonicContact OE1-NE 2.82Å; E167-R170 PolarHBondContact OE1-NE 3.44Å; E167-R170 IonicContact OE1-NH2 3.77Å; E167-R170 IonicContact OE2-CZ 3.56Å; E167-R170 IonicContact OE2-NE 3.39Å; E167-R170 PolarHBondContact OE2-NE 3.43Å; E167-R170 IonicContact OE2-NH2 2.83Å; E167-R170 PolarHBondContact OE2-NH2 3.31Å; R170-L172 VanDerWaalsContact C-N 3.31Å; R170-L172 PolarHBondContact O-N 3.29Å
171	I	98.7	Very high	98.3	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-76.3	-17.9	-177.4	63.3	162.8	0	0	0	113.3	A65 V67 I136 Y138 E141 R142 F143 F146 E167 L168 A169	A65-I171 HydrophobicContact CB-CD1 4Å; V67-I171 HydrophobicContact CG2-CD1 4.34Å; I136-I171 HydrophobicContact CB-CG2 4.33Å; I136-I171 HydrophobicContact CD1-CD1 4.41Å; I136-I171 HydrophobicContact CG2-CG2 4.02Å; Y138-I171 HydrophobicContact CD2-CD1 4.38Å; E141-I171 PolarHBondContact N-O 2.55Å; R142-I171 PolarHBondContact N-O 3.22Å; F143-I171 HydrophobicContact CD2-CB 3.95Å; F143-I171 HydrophobicContact CD2-CD1 4.17Å; F143-I171 HydrophobicContact CD2-CG1 4.4Å; F143-I171 HydrophobicContact CE2-CB 4.49Å; F143-I171 PolarHBondContact N-O 3.36Å; F146-I171 HydrophobicContact CB-CD1 4.37Å; E167-I171 PolarHBondContact O-N 3.18Å; L168-I171 WeakPolarHBondContact O-CG1 3.38Å; A169-I171 VanDerWaalsContact C-N 3.27Å; A169-I171 PolarHBondContact O-N 2.85Å
172	L	98.8	Very high	98.1	Very high	22 Å²	22	56.1 Å²	56.1	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.1	178	-71.7	177.5	0	0	0	111.7	E141 F143 F146 A169 R170	E141-L172 WeakPolarHBondContact CA-O 3.38Å; F143-L172 HydrophobicContact CB-CD2 4.32Å; F143-L172 WeakPolarHBondContact O-CA 3.47Å; F146-L172 HydrophobicContact CD1-CD1 3.57Å; F146-L172 HydrophobicContact CD1-CD2 3.82Å; F146-L172 HydrophobicContact CD1-CG 3.62Å; F146-L172 HydrophobicContact CE1-CD1 3.48Å; F146-L172 VanDerWaalsContact CE1-CD1 3.48Å; F146-L172 HydrophobicContact CE1-CG 4.01Å; A169-L172 PolarHBondContact O-N 3.46Å; A169-L172 VanDerWaalsContact O-N 3.15Å; R170-L172 VanDerWaalsContact C-N 3.31Å; R170-L172 PolarHBondContact O-N 3.29Å
173	R	98.3	Very high	97.9	Very high	115 Å²	115	58 Å²	58	43%	0.434	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	164.7	165	69.3	170.1	175.8	98.7	-5.4	110.9	F143 D144 G175 G176	F143-R173 PolarHBondContact O-N 3.34Å; D144-R173 IonicContact OD1-CZ 2.69Å; D144-R173 IonicContact OD1-NE 2.99Å; D144-R173 PolarHBondContact OD1-NE 3.21Å; D144-R173 IonicContact OD1-NH2 3.26Å; D144-R173 PolarHBondContact OD1-NH2 3.45Å; R173-G175 PolarHBondContact O-N 3.06Å; R173-G176 WeakPolarHBondContact O-CA 3.41Å; R173-G176 PolarHBondContact O-N 3.24Å
174	V	97.7	Very high	97.4	Very high	123 Å²	123	57.5 Å²	57.5	75%	0.745	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.5	126.5	169	179.8	0	0	0	0	110.3	G176	V174-G176 VanDerWaalsContact C-N 3.27Å; V174-G176 PolarHBondContact O-N 3.29Å
175	G	96.9	Very high	96.8	Very high	67 Å²	67	61.7 Å²	61.7	69%	0.691	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	81.2	-1.3	-175.7	0	0	0	0	0	115	R173	R173-G175 PolarHBondContact O-N 3.06Å
176	G	98	Very high	96	Very high	20 Å²	20	64.3 Å²	64.3	21%	0.206	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	156.2	172.8	0	0	0	0	0	112.1	D144 R173 V174	D144-G176 CarbonylContact O-C 3.55Å; D144-G176 WeakPolarHBondContact O-CA 3.32Å; R173-G176 WeakPolarHBondContact O-CA 3.41Å; R173-G176 PolarHBondContact O-N 3.24Å; V174-G176 VanDerWaalsContact C-N 3.27Å; V174-G176 PolarHBondContact O-N 3.29Å
177	Q	98.2	Very high	95.1	Very high	106 Å²	106	60.7 Å²	60.7	50%	0.495	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.2	-172.2	-60.8	-172.8	-55.4	0	0	112.4	F54 D144 F145 F146	F54-Q177 HydrophobicContact CE2-CB 4.09Å; F54-Q177 HydrophobicContact CZ-CB 3.98Å; D144-Q177 PolarHBondContact O-N 3.34Å; F145-Q177 CarbonylContact C-O 3.57Å; F145-Q177 WeakPolarHBondContact CA-O 3.47Å; F145-Q177 VanDerWaalsContact CB-O 3.22Å; F145-Q177 WeakPolarHBondContact CB-O 3.44Å; F146-Q177 PolarHBondContact N-O 3.45Å
178	G	98.2	Very high	94	Very high	40 Å²	40	64 Å²	64	41%	0.412	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.3	175.5	0	0	0	0	0	112.3	F146	F146-G178 VanDerWaalsContact CE1-CA 3.41Å
179	L	98.6	Very high	92.4	Very high	34 Å²	34	65.2 Å²	65.2	18%	0.178	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.1	166.5	-178.7	61.4	0	0	0	110.7	V51 F54 F146 L147 C148 I149 Q181	V51-L179 HydrophobicContact CB-CD2 4.25Å; V51-L179 HydrophobicContact CG1-CD2 4.16Å; V51-L179 HydrophobicContact CG2-CD2 3.99Å; F54-L179 HydrophobicContact CB-CD2 3.77Å; F54-L179 HydrophobicContact CD1-CB 3.83Å; F54-L179 HydrophobicContact CD1-CD2 3.91Å; F54-L179 HydrophobicContact CD2-CB 4.22Å; F54-L179 HydrophobicContact CD2-CD2 4.45Å; F54-L179 HydrophobicContact CE1-CB 3.74Å; F54-L179 HydrophobicContact CE2-CB 4.14Å; F54-L179 HydrophobicContact CG-CB 4.06Å; F54-L179 HydrophobicContact CG-CD2 3.78Å; F54-L179 HydrophobicContact CG-CG 4.46Å; F54-L179 HydrophobicContact CZ-CB 3.91Å; F146-L179 PolarHBondContact O-N 3.07Å; L147-L179 HydrophobicContact CD2-CB 4.15Å; L147-L179 HydrophobicContact CD2-CD2 4.21Å; C148-L179 PolarHBondContact N-O 2.86Å; I149-L179 HydrophobicContact CD1-CD2 4.1Å; I149-L179 HydrophobicContact CD1-CG 4.01Å; L179-Q181 HydrophobicContact CD1-CG 4.34Å; L179-Q181 HydrophobicContact CG-CG 4.48Å
180	I	98.5	Very high	90.9	Very high	62 Å²	62	71.4 Å²	71.4	32%	0.318	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.6	170.7	-59	177.8	0	0	0	108.6	F146 C148 I152 V165 L168 V182	F146-I180 HydrophobicContact CE2-CD1 4.31Å; F146-I180 HydrophobicContact CE2-CG1 3.66Å; F146-I180 HydrophobicContact CZ-CD1 4.25Å; F146-I180 HydrophobicContact CZ-CG1 4.04Å; C148-I180 HydrophobicContact CB-CG1 4.23Å; C148-I180 WeakPolarHBondContact O-CA 3.29Å; I152-I180 HydrophobicContact CD1-CG2 3.69Å; I152-I180 HydrophobicContact CG1-CG2 4.21Å; V165-I180 HydrophobicContact CG2-CD1 4.11Å; L168-I180 HydrophobicContact CD1-CD1 4.21Å; L168-I180 HydrophobicContact CD1-CG1 4.48Å; I180-V182 HydrophobicContact CG2-CG1 3.98Å
181	Q	96.5	Very high	89.4	Confident	51 Å²	51	70.3 Å²	70.3	24%	0.238	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.5	167.3	-70	-173	14.8	0	0	109.5	S50 C148 I149 A150 L179	S50-Q181 PolarHBondContact OG-NE2 2.97Å; C148-Q181 PolarHBondContact O-N 2.87Å; I149-Q181 HydrophobicContact CD1-CB 3.93Å; I149-Q181 HydrophobicContact CD1-CG 3.9Å; I149-Q181 HydrophobicContact CG2-CB 4.23Å; A150-Q181 WeakPolarHBondContact CA-O 3.37Å; A150-Q181 PolarHBondContact N-O 3.21Å; L179-Q181 HydrophobicContact CD1-CG 4.34Å; L179-Q181 HydrophobicContact CG-CG 4.48Å
182	V	95.3	Very high	87.6	Confident	74 Å²	74	79.4 Å²	79.4	45%	0.448	43%	0.433	S	S	.	.			trans	-130.7	168.3	179.8	-66.6	0	0	0	0	110.3	I152 H153 I180	I152-V182 HydrophobicContact CD1-CG1 3.87Å; I152-V182 HydrophobicContact CG1-CG1 3.46Å; I152-V182 VanDerWaalsContact CG1-CG1 3.46Å; H153-V182 HydrophobicContact CB-CB 4.37Å; H153-V182 HydrophobicContact CB-CG1 4.39Å; I180-V182 HydrophobicContact CG2-CG1 3.98Å
183	W	92	Very high	86	Confident	128 Å²	128	83.1 Å²	83.1	49%	0.485	46%	0.46	S	S	.	.			trans	-72.9	130.7	171.9	-70.5	4.8	0	0	0	110.5	H153 F237 V244	H153-W183 AromaticContact CE1-CD1 3.32Å; H153-W183 AromaticContact CE1-CD2 3.56Å; H153-W183 AromaticContact CE1-CE2 3.64Å; H153-W183 AromaticContact CE1-CG 3.4Å; H153-W183 VanDerWaalsContact CE1-CG 3.4Å; H153-W183 AromaticContact CE1-NE1 3.45Å; H153-W183 PolarHBondContact CE1-NE1 3.17Å; H153-W183 WeakPolarHBondContact ND1-CB 3.21Å; H153-W183 AromaticContact ND1-CD1 3.59Å; H153-W183 AromaticContact ND1-CD2 3.7Å; H153-W183 AromaticContact ND1-CG 3.28Å; H153-W183 VanDerWaalsContact ND1-CG 3.28Å; H153-W183 PolarHBondContact ND1-N 3.18Å; W183-F237 HydrophobicContact CB-CE2 3.98Å; W183-F237 HydrophobicContact CB-CZ 4.49Å; W183-F237 HydrophobicContact CD2-CE2 4.32Å; W183-F237 AromaticContact CD2-CZ 3.97Å; W183-F237 HydrophobicContact CD2-CZ 3.97Å; W183-F237 HydrophobicContact CE3-CE1 4.02Å; W183-F237 AromaticContact CE3-CE2 3.89Å; W183-F237 HydrophobicContact CE3-CE2 3.89Å; W183-F237 AromaticContact CE3-CZ 3.23Å; W183-F237 HydrophobicContact CE3-CZ 3.23Å; W183-F237 HydrophobicContact CG-CE2 4.43Å; W183-F237 HydrophobicContact CZ3-CE1 4.17Å; W183-F237 AromaticContact CZ3-CZ 3.72Å; W183-F237 HydrophobicContact CZ3-CZ 3.72Å; W183-V244 HydrophobicContact CE3-CG2 4.43Å; W183-V244 HydrophobicContact CH2-CB 4.18Å; W183-V244 HydrophobicContact CH2-CG1 3.75Å; W183-V244 HydrophobicContact CZ3-CB 3.68Å; W183-V244 HydrophobicContact CZ3-CG1 3.56Å; W183-V244 HydrophobicContact CZ3-CG2 3.68Å
184	A	89.1	Confident	84.2	Confident	56 Å²	56	83.1 Å²	83.1	46%	0.463	47%	0.465	S	S	.	.			trans	-86.4	136.1	173.3	0	0	0	0	0	109.8	Q187 F237	A184-Q187 WeakPolarHBondContact O-CG 3.27Å; A184-F237 VanDerWaalsContact O-CD2 3.28Å; A184-F237 WeakPolarHBondContact O-CD2 3.23Å
185	K	85.5	Confident	82.6	Confident	87 Å²	87	79.5 Å²	79.5	38%	0.378	44%	0.444	S	S	.	.	S	Bend	trans	-66.2	-48.4	171	-174.9	-166.3	176.8	-158.2	0	109.7	Q187 F237 T240	K185-Q187 PolarHBondContact O-N 2.88Å; K185-F237 HydrophobicContact CG-CB 4.26Å; K185-T240 HydrophobicContact CD-CG2 4.03Å
186	E	82.8	Confident	81.4	Confident	114 Å²	114	77.2 Å²	77.2	53%	0.533	42%	0.417	S	S	.	.			trans	-72.2	107.6	174	-62.1	78.3	-172.8	0	0	109.2
187	Q	79.1	Confident	80.1	Confident	23 Å²	23	83.4 Å²	83.4	11%	0.107	44%	0.436	C	S	.	.			trans	-107.7	35.8	-175.2	-70.2	-170.2	-28.9	0	0	112.6	A184 K185 S196 V199 T235 E236 F237	A184-Q187 WeakPolarHBondContact O-CG 3.27Å; K185-Q187 PolarHBondContact O-N 2.88Å; Q187-S196 WeakPolarHBondContact O-CA 3.28Å; Q187-S196 WeakPolarHBondContact O-CB 3.39Å; Q187-S196 PolarHBondContact O-N 2.84Å; Q187-S196 PolarHBondContact O-OG 2.81Å; Q187-S196 VanDerWaalsContact O-OG 3.11Å; Q187-V199 HydrophobicContact CB-CG2 3.96Å; Q187-V199 VanDerWaalsContact OE1-CG2 3.3Å; Q187-T235 PolarHBondContact OE1-O 2.9Å; Q187-E236 HydrophobicContact CB-CG 4.24Å; Q187-F237 HydrophobicContact CG-CD2 4.32Å
188	H	75.2	Confident	78.6	Confident	93 Å²	93	84.5 Å²	84.5	43%	0.431	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-80.5	149.7	173.8	-48	-47.3	0	0	0	111	E236	H188-E236 IonicContact CE1-OE1 3.57Å; H188-E236 IonicContact CE1-OE2 4Å; H188-E236 IonicContact ND1-OE1 3.38Å; H188-E236 PolarHBondContact ND1-OE1 3.15Å
189	G	66.4	Low	77.2	Confident	27 Å²	27	83.5 Å²	83.5	28%	0.278	42%	0.422	S	S	.	.			trans	-76.8	-167	174.7	0	0	0	0	0	112.2	S191 E194	G189-S191 CarbonylContact C-O 3.45Å; G189-S191 CarbonylContact O-C 3.53Å; G189-S191 PolarHBondContact O-N 3.18Å; G189-E194 WeakPolarHBondContact CA-O 2.77Å; G189-E194 PolarHBondContact N-O 2.92Å
190	I	67	Low	75.3	Confident	186 Å²	186	84.7 Å²	84.7	95%	0.954	43%	0.428	S	S	*	.	S	Bend	trans	-61.4	-38.2	-179.8	-61.5	172.2	0	0	0	110.4
191	S	66.4	Low	73.1	Confident	49 Å²	49	89.7 Å²	89.7	34%	0.343	44%	0.443	S	S	.	.	S	Bend	trans	-89.7	136.6	162.3	-179.6	0	0	0	0	109.5	G189 S193 E194	G189-S191 CarbonylContact C-O 3.45Å; G189-S191 CarbonylContact O-C 3.53Å; G189-S191 PolarHBondContact O-N 3.18Å; S191-S193 PolarHBondContact O-N 2.83Å; S191-S193 PolarHBondContact OG-N 3.34Å; S191-S193 PolarHBondContact OG-OG 3.04Å; S191-E194 PolarHBondContact O-N 2.92Å
192	K	62.1	Low	70.9	Confident	191 Å²	191	91 Å²	91	83%	0.83	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.9	171.9	-73.5	-173.7	178.9	-179.7	0	113.1
193	S	65	Low	68.6	Low	100 Å²	100	92.3 Å²	92.3	70%	0.699	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.2	178.6	64.4	0	0	0	0	114.2	S191	S191-S193 PolarHBondContact O-N 2.83Å; S191-S193 PolarHBondContact OG-N 3.34Å; S191-S193 PolarHBondContact OG-OG 3.04Å
194	E	60.4	Low	66.2	Low	115 Å²	115	95.6 Å²	95.6	54%	0.537	47%	0.474	S	S	.	.	S	Bend	trans	-107	139.8	-177	-68.3	-171.4	165.5	0	0	110.6	G189 S191	G189-E194 WeakPolarHBondContact CA-O 2.77Å; G189-E194 PolarHBondContact N-O 2.92Å; S191-E194 PolarHBondContact O-N 2.92Å
195	P	63.9	Low	64	Low	46 Å²	46	98.1 Å²	98.1	30%	0.299	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-69	151.7	171.7	-12.2	25.4	0	0	0	110.9	V199 N200	P195-V199 HydrophobicContact CB-CB 3.74Å; P195-V199 HydrophobicContact CB-CG1 3.78Å; P195-N200 WeakPolarHBondContact CG-OD1 3.42Å; P195-N200 PolarHBondContact O-ND2 3.36Å
196	S	71.7	Confident	61.9	Low	19 Å²	19	97.8 Å²	97.8	13%	0.133	49%	0.485	C	S	.	.			trans	-61.1	159.8	170.9	68.6	0	0	0	0	111	Q187 Y198 V199 N200	Q187-S196 WeakPolarHBondContact O-CA 3.28Å; Q187-S196 WeakPolarHBondContact O-CB 3.39Å; Q187-S196 PolarHBondContact O-N 2.84Å; Q187-S196 PolarHBondContact O-OG 2.81Å; Q187-S196 VanDerWaalsContact O-OG 3.11Å; S196-Y198 PolarHBondContact O-N 3.5Å; S196-V199 PolarHBondContact O-N 3.39Å; S196-N200 PolarHBondContact O-N 2.88Å; S196-N200 VanDerWaalsContact O-N 3.09Å
197	Y	70.4	Confident	59.5	Low	151 Å²	151	98.2 Å²	98.2	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-48	-33.4	178.7	174.1	-97.9	0	0	0	113.8
198	Y	67.4	Low	57.4	Low	129 Å²	129	104.2 Å²	104.2	51%	0.506	53%	0.532	S	S	.	.	H	α-helix	trans	-75.9	-30.7	-177.8	-63.7	-80.2	0	0	0	114	W48 S196	W48-Y198 AromaticContact CH2-CE1 3.82Å; W48-Y198 HydrophobicContact CH2-CE1 3.82Å; W48-Y198 HydrophobicContact CH2-CE2 4.41Å; W48-Y198 AromaticContact CH2-CZ 3.46Å; W48-Y198 VanDerWaalsContact CH2-CZ 3.46Å; W48-Y198 WeakPolarHBondContact CH2-OH 2.91Å; W48-Y198 AromaticContact CZ2-CE1 3.93Å; W48-Y198 HydrophobicContact CZ2-CE1 3.93Å; W48-Y198 AromaticContact CZ2-CZ 3.66Å; W48-Y198 WeakPolarHBondContact CZ2-OH 3.42Å; S196-Y198 PolarHBondContact O-N 3.5Å
199	V	68	Low	55.9	Low	18 Å²	18	104.2 Å²	104.2	11%	0.109	54%	0.538	C	S	.	.	H	α-helix	trans	-81.5	-40.9	177	-178.8	0	0	0	0	110	Q187 P195 S196 R201 K202 E236	Q187-V199 HydrophobicContact CB-CG2 3.96Å; Q187-V199 VanDerWaalsContact OE1-CG2 3.3Å; P195-V199 HydrophobicContact CB-CB 3.74Å; P195-V199 HydrophobicContact CB-CG1 3.78Å; S196-V199 PolarHBondContact O-N 3.39Å; V199-R201 PolarHBondContact O-N 3.29Å; V199-R201 VanDerWaalsContact O-N 3.1Å; V199-K202 PolarHBondContact O-N 3.32Å; V199-E236 HydrophobicContact CG2-CG 4.22Å
200	N	58.6	Low	54.4	Low	59 Å²	59	109.6 Å²	109.6	32%	0.316	56%	0.561	S	S	.	*	H	α-helix	trans	-63.6	-19.1	-176.3	-96.8	-30.4	0	0	0	115.4	P195 S196 K202 T203	P195-N200 WeakPolarHBondContact CG-OD1 3.42Å; P195-N200 PolarHBondContact O-ND2 3.36Å; S196-N200 PolarHBondContact O-N 2.88Å; S196-N200 VanDerWaalsContact O-N 3.09Å; N200-K202 PolarHBondContact O-N 3.21Å; N200-K202 VanDerWaalsContact O-N 3.13Å; N200-T203 PolarHBondContact O-OG1 3.11Å; N200-T203 VanDerWaalsContact O-OG1 3.04Å; N200-T203 PolarHBondContact OD1-OG1 2.84Å
201	R	53.5	Low	53.1	Low	167 Å²	167	108.6 Å²	108.6	63%	0.63	56%	0.557	S	S	*	*	H	α-helix	trans	-66.3	-16.7	-176.6	-161.3	172.2	175.9	156.8	2.3	113.2	V199 T205	V199-R201 PolarHBondContact O-N 3.29Å; V199-R201 VanDerWaalsContact O-N 3.1Å; R201-T205 PolarHBondContact O-OG1 3.14Å
202	K	48.9	Very low	52	Low	78 Å²	78	108.5 Å²	108.5	34%	0.339	56%	0.556	S	S	.	*	H	α-helix	trans	-101.4	-28.8	178	-94.1	-171.1	171.3	-173.8	0	115.4	V199 N200 K204 T205 M206 N233	V199-K202 PolarHBondContact O-N 3.32Å; N200-K202 PolarHBondContact O-N 3.21Å; N200-K202 VanDerWaalsContact O-N 3.13Å; K202-K204 PolarHBondContact O-N 3.29Å; K202-K204 VanDerWaalsContact O-N 3.15Å; K202-T205 PolarHBondContact O-N 2.98Å; K202-M206 HydrophobicContact CB-SD 4.46Å; K202-M206 HydrophobicContact CD-CE 4.47Å; K202-M206 HydrophobicContact CD-SD 3.62Å; K202-M206 HydrophobicContact CG-SD 4.05Å; K202-M206 PolarHBondContact O-N 3.21Å; K202-N233 WeakPolarHBondContact CE-O 3.35Å; K202-N233 PolarHBondContact NZ-O 3.38Å
203	T	46.4	Very low	51.1	Low	103 Å²	103	104.7 Å²	104.7	63%	0.632	55%	0.551	S	S	*	*	H	α-helix	trans	-59.4	-27.6	174.9	38.5	0	0	0	0	111.7	N200	N200-T203 PolarHBondContact O-OG1 3.11Å; N200-T203 VanDerWaalsContact O-OG1 3.04Å; N200-T203 PolarHBondContact OD1-OG1 2.84Å
204	K	43.4	Very low	50.2	Low	196 Å²	196	106.8 Å²	106.8	85%	0.852	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.7	174	-116	178.9	-177.6	177.2	0	115.8	K202	K202-K204 PolarHBondContact O-N 3.29Å; K202-K204 VanDerWaalsContact O-N 3.15Å
205	T	42.8	Very low	49.7	Very low	110 Å²	110	105.1 Å²	105.1	68%	0.675	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	-7.5	-174.2	-38.5	0	0	0	0	113.6	R201 K202	R201-T205 PolarHBondContact O-OG1 3.14Å; K202-T205 PolarHBondContact O-N 2.98Å
206	M	40	Very low	49.2	Very low	80 Å²	80	109.3 Å²	109.3	39%	0.394	57%	0.57	S	S	.	*			trans	-123	85.4	178.9	-75.8	172.6	30.1	0	0	110.9	K202 N208 V209	K202-M206 HydrophobicContact CB-SD 4.46Å; K202-M206 HydrophobicContact CD-CE 4.47Å; K202-M206 HydrophobicContact CD-SD 3.62Å; K202-M206 HydrophobicContact CG-SD 4.05Å; K202-M206 PolarHBondContact O-N 3.21Å; M206-N208 VanDerWaalsContact C-N 3.31Å; M206-V209 HydrophobicContact CB-CG2 4.19Å; M206-V209 HydrophobicContact CE-CB 3.54Å; M206-V209 HydrophobicContact CE-CG1 4.1Å; M206-V209 HydrophobicContact CE-CG2 3.17Å; M206-V209 HydrophobicContact CG-CG2 3.67Å; M206-V209 HydrophobicContact SD-CG2 3.52Å; M206-V209 VanDerWaalsContact SD-CG2 3.52Å
207	C	34	Very low	48.9	Very low	122 Å²	122	110.6 Å²	110.6	82%	0.824	58%	0.579	S	S	*	*	S	Bend	trans	-89.6	5.9	153.1	39.2	0	0	0	0	112.3
208	N	34.8	Very low	49.5	Very low	150 Å²	150	109.4 Å²	109.4	80%	0.802	58%	0.577	S	S	*	*			trans	-145.6	74.9	179	-75.3	-30.3	0	0	0	111	M206	M206-N208 VanDerWaalsContact C-N 3.31Å
209	V	42.1	Very low	50.4	Low	92 Å²	92	107.7 Å²	107.7	56%	0.558	58%	0.576	S	S	*	*			trans	-125.4	118.3	156.1	172.4	0	0	0	0	106.7	M206 D211	M206-V209 HydrophobicContact CB-CG2 4.19Å; M206-V209 HydrophobicContact CE-CB 3.54Å; M206-V209 HydrophobicContact CE-CG1 4.1Å; M206-V209 HydrophobicContact CE-CG2 3.17Å; M206-V209 HydrophobicContact CG-CG2 3.67Å; M206-V209 HydrophobicContact SD-CG2 3.52Å; M206-V209 VanDerWaalsContact SD-CG2 3.52Å; V209-D211 PolarHBondContact O-N 2.77Å
210	D	36.2	Very low	51.4	Low	140 Å²	140	109.2 Å²	109.2	75%	0.749	59%	0.585	S	S	*	*			trans	-46	127.4	174.5	-72.1	-47.4	0	0	0	110.3	S212	D210-S212 PolarHBondContact O-N 3.09Å
211	D	39.8	Very low	52.9	Low	166 Å²	166	110.8 Å²	110.8	89%	0.888	59%	0.59	S	S	*	*			trans	-68.8	49.5	163.9	-80.6	-36.6	0	0	0	110.1	V209	V209-D211 PolarHBondContact O-N 2.77Å
212	S	42	Very low	54.6	Low	46 Å²	46	102.8 Å²	102.8	32%	0.322	56%	0.56	S	S	.	*			trans	-74.4	141.8	170.8	92.1	0	0	0	0	108.8	D210 E214 S215	D210-S212 PolarHBondContact O-N 3.09Å; S212-E214 PolarHBondContact O-N 3.37Å; S212-S215 PolarHBondContact O-N 2.76Å
213	P	44.4	Very low	56.5	Low	111 Å²	111	99.3 Å²	99.3	72%	0.721	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-62.8	0	-178.3	22.7	-31.6	0	0	0	114.4	S215	P213-S215 VanDerWaalsContact C-N 3.26Å; P213-S215 PolarHBondContact O-N 2.68Å
214	E	45.7	Very low	58.4	Low	144 Å²	144	99 Å²	99	67%	0.673	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-78.2	-4.4	175	-65.7	-175.2	130	0	0	114.2	S212 L216	S212-E214 PolarHBondContact O-N 3.37Å; E214-L216 VanDerWaalsContact C-N 3.29Å
215	S	49.2	Very low	60.4	Low	81 Å²	81	91.3 Å²	91.3	57%	0.566	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-80.2	-6.7	175.6	85	0	0	0	0	114.2	S212 P213 S217	S212-S215 PolarHBondContact O-N 2.76Å; P213-S215 VanDerWaalsContact C-N 3.26Å; P213-S215 PolarHBondContact O-N 2.68Å; S215-S217 PolarHBondContact O-N 3.3Å
216	L	54.5	Low	62.4	Low	133 Å²	133	86.1 Å²	86.1	70%	0.696	49%	0.489	S	S	*	.	S	Bend	trans	-59	130	169.8	-82.2	157.8	0	0	0	109.7	E214 K218	E214-L216 VanDerWaalsContact C-N 3.29Å; L216-K218 PolarHBondContact O-N 2.97Å
217	S	64.2	Low	64.8	Low	46 Å²	46	86.8 Å²	86.8	32%	0.322	49%	0.488	S	S	.	.			trans	-50.1	108	-178.8	64.7	0	0	0	0	110.2	S215 I219 H229	S215-S217 PolarHBondContact O-N 3.3Å; S217-I219 PolarHBondContact O-N 3.45Å; S217-H229 PolarHBondContact OG-ND1 3.17Å; S217-H229 VanDerWaalsContact OG-ND1 3.13Å
218	K	83.9	Confident	67.5	Low	126 Å²	126	81.5 Å²	81.5	55%	0.548	45%	0.452	S	S	.	.			trans	-64.4	133.5	179.5	-68.1	-175.6	178.1	-175.6	0	108.7	L216 L230	L216-K218 PolarHBondContact O-N 2.97Å; K218-L230 HydrophobicContact CB-CB 4.49Å; K218-L230 PolarHBondContact O-N 3.02Å
219	I	86.9	Confident	70.2	Confident	93 Å²	93	75.6 Å²	75.6	48%	0.477	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.3	172.1	-61.9	173.4	0	0	0	107.7	S217 Y227 L228	S217-I219 PolarHBondContact O-N 3.45Å; I219-Y227 HydrophobicContact CG2-CD1 4.33Å; I219-Y227 HydrophobicContact CG2-CG 4.49Å; I219-L228 WeakPolarHBondContact CA-O 3.48Å
220	V	89.2	Confident	72.6	Confident	50 Å²	50	73.6 Å²	73.6	30%	0.303	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.6	178.9	172.4	0	0	0	0	109.4	A222 Y227 L228 L230	V220-A222 PolarHBondContact O-N 3.07Å; V220-Y227 CarbonylContact O-C 3.58Å; V220-Y227 WeakPolarHBondContact O-CA 3.41Å; V220-L228 PolarHBondContact N-O 2.8Å; V220-L228 PolarHBondContact O-N 3.18Å; V220-L230 HydrophobicContact CB-CD1 3.79Å; V220-L230 HydrophobicContact CG2-CD1 3.33Å
221	E	90	Very high	75.2	Confident	92 Å²	92	67.7 Å²	67.7	43%	0.43	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	102	165.7	-164.8	169.1	173.1	0	0	108.2	G225 T226 Y227	E221-G225 PolarHBondContact OE1-N 2.86Å; E221-T226 CarbonylContact C-O 3.6Å; E221-T226 WeakPolarHBondContact CA-O 3.36Å; E221-Y227 HydrophobicContact CB-CD1 3.77Å; E221-Y227 HydrophobicContact CB-CE1 3.46Å; E221-Y227 VanDerWaalsContact CB-CE1 3.46Å; E221-Y227 HydrophobicContact CG-CD1 4.15Å; E221-Y227 HydrophobicContact CG-CE1 3.66Å; E221-Y227 HydrophobicContact CG-CE2 4.48Å; E221-Y227 PolarHBondContact OE2-OH 3.45Å
222	A	89.2	Confident	77.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-45.4	-172.5	0	0	0	0	0	110.9	L24 Y28 V220 T226 L228 L243	L24-A222 HydrophobicContact CD1-CB 3.44Å; L24-A222 VanDerWaalsContact CD1-CB 3.44Å; Y28-A222 HydrophobicContact CD2-CB 4.42Å; Y28-A222 HydrophobicContact CE2-CB 3.76Å; Y28-A222 WeakPolarHBondContact CE2-O 3.45Å; Y28-A222 PolarHBondContact OH-O 3.13Å; V220-A222 PolarHBondContact O-N 3.07Å; A222-T226 PolarHBondContact N-O 3.43Å; A222-L228 HydrophobicContact CB-CD1 3.92Å; A222-L228 HydrophobicContact CB-CG 4.29Å; A222-L243 HydrophobicContact CB-CD1 4.22Å
223	V	87.9	Confident	79.5	Confident	4 Å²	4	62 Å²	62	2%	0.024	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.1	169.1	-64.9	0	0	0	0	108.2	F19 E23 L24 G225 T226	F19-V223 HydrophobicContact CB-CG2 4.02Å; F19-V223 HydrophobicContact CD2-CG2 4.49Å; E23-V223 HydrophobicContact CB-CG1 4.35Å; E23-V223 HydrophobicContact CG-CG1 4.05Å; L24-V223 HydrophobicContact CB-CG1 4.06Å; L24-V223 HydrophobicContact CD1-CG1 4.11Å; V223-G225 PolarHBondContact O-N 3.05Å; V223-T226 VanDerWaalsContact CG2-CB 3.49Å; V223-T226 HydrophobicContact CG2-CG2 4.05Å; V223-T226 WeakPolarHBondContact O-CA 3.46Å; V223-T226 WeakPolarHBondContact O-CB 3.46Å; V223-T226 PolarHBondContact O-N 2.75Å
224	P	87.1	Confident	81.1	Confident	98 Å²	98	57.9 Å²	57.9	64%	0.636	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	123.9	-172.9	-30.8	36.1	0	0	0	113.2	T226	P224-T226 PolarHBondContact O-N 2.89Å
225	G	83.8	Confident	83	Confident	33 Å²	33	53.9 Å²	53.9	34%	0.34	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	4	-179.5	0	0	0	0	0	115.7	E221 V223	E221-G225 PolarHBondContact OE1-N 2.86Å; V223-G225 PolarHBondContact O-N 3.05Å
226	T	86.2	Confident	84.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.6	-174.5	-53.8	0	0	0	0	111.2	L14 F19 E221 A222 V223 P224	L14-T226 HydrophobicContact CD2-CG2 3.53Å; F19-T226 HydrophobicContact CB-CG2 3.99Å; F19-T226 WeakPolarHBondContact CB-OG1 3.25Å; F19-T226 HydrophobicContact CD1-CG2 4.26Å; F19-T226 HydrophobicContact CD2-CG2 4.5Å; F19-T226 HydrophobicContact CG-CG2 4.03Å; E221-T226 CarbonylContact C-O 3.6Å; E221-T226 WeakPolarHBondContact CA-O 3.36Å; A222-T226 PolarHBondContact N-O 3.43Å; V223-T226 VanDerWaalsContact CG2-CB 3.49Å; V223-T226 HydrophobicContact CG2-CG2 4.05Å; V223-T226 WeakPolarHBondContact O-CA 3.46Å; V223-T226 WeakPolarHBondContact O-CB 3.46Å; V223-T226 PolarHBondContact O-N 2.75Å; P224-T226 PolarHBondContact O-N 2.89Å
227	Y	89.8	Confident	86.3	Confident	95 Å²	95	48 Å²	48	37%	0.373	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.4	-172.9	-60.7	-89.7	0	0	0	111	I219 V220 E221	I219-Y227 HydrophobicContact CG2-CD1 4.33Å; I219-Y227 HydrophobicContact CG2-CG 4.49Å; V220-Y227 CarbonylContact O-C 3.58Å; V220-Y227 WeakPolarHBondContact O-CA 3.41Å; E221-Y227 HydrophobicContact CB-CD1 3.77Å; E221-Y227 HydrophobicContact CB-CE1 3.46Å; E221-Y227 VanDerWaalsContact CB-CE1 3.46Å; E221-Y227 HydrophobicContact CG-CD1 4.15Å; E221-Y227 HydrophobicContact CG-CE1 3.66Å; E221-Y227 HydrophobicContact CG-CE2 4.48Å; E221-Y227 PolarHBondContact OE2-OH 3.45Å
228	L	91.2	Very high	87.4	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.052	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.3	180	-66.6	177.5	0	0	0	111.3	L14 L24 I219 V220 A222 L243	L14-L228 HydrophobicContact CD1-CD2 3.82Å; L14-L228 HydrophobicContact CD2-CD2 3.98Å; L14-L228 HydrophobicContact CG-CD2 4.12Å; L24-L228 HydrophobicContact CD1-CD1 4.04Å; L24-L228 HydrophobicContact CD2-CD1 4.11Å; I219-L228 WeakPolarHBondContact CA-O 3.48Å; V220-L228 PolarHBondContact N-O 2.8Å; V220-L228 PolarHBondContact O-N 3.18Å; A222-L228 HydrophobicContact CB-CD1 3.92Å; A222-L228 HydrophobicContact CB-CG 4.29Å; L228-L243 HydrophobicContact CB-CD1 4.34Å; L228-L243 HydrophobicContact CB-CG 4.01Å; L228-L243 HydrophobicContact CD1-CD2 3.93Å; L228-L243 HydrophobicContact CD1-CG 3.89Å
229	H	91.2	Very high	87.5	Confident	27 Å²	27	46.8 Å²	46.8	13%	0.125	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.8	170.7	-69	-107.6	0	0	0	110	S217 N239 M242 L243	S217-H229 PolarHBondContact OG-ND1 3.17Å; S217-H229 VanDerWaalsContact OG-ND1 3.13Å; H229-N239 PolarHBondContact CD2-ND2 3.02Å; H229-N239 PolarHBondContact NE2-ND2 3.41Å; H229-M242 HydrophobicContact CB-CB 4.43Å; H229-M242 CarbonylContact O-C 3.53Å; H229-M242 WeakPolarHBondContact O-CA 3.3Å; H229-M242 VanDerWaalsContact O-CB 3.3Å; H229-M242 WeakPolarHBondContact O-CB 3.38Å; H229-L243 PolarHBondContact O-N 2.93Å
230	L	91.8	Very high	87.5	Confident	50 Å²	50	46.7 Å²	46.7	26%	0.262	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.6	163.6	-100.2	83.4	0	0	0	109.8	K218 V220 L243 P245	K218-L230 HydrophobicContact CB-CB 4.49Å; K218-L230 PolarHBondContact O-N 3.02Å; V220-L230 HydrophobicContact CB-CD1 3.79Å; V220-L230 HydrophobicContact CG2-CD1 3.33Å; L230-L243 WeakPolarHBondContact CA-O 3.44Å; L230-L243 HydrophobicContact CD1-CB 4.33Å; L230-L243 HydrophobicContact CD1-CD1 4.17Å; L230-L243 HydrophobicContact CG-CB 4.35Å; L230-P245 HydrophobicContact CD2-CG 4.35Å
231	H	91.1	Very high	87.5	Confident	16 Å²	16	46.2 Å²	46.2	7%	0.074	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.5	139.5	170.2	-176.8	58.3	0	0	0	111.9	T235 F237 M242 L243 V244 P245	H231-T235 PolarHBondContact CE1-O 3.48Å; H231-F237 AromaticContact CD2-CE1 3.91Å; H231-F237 AromaticContact CE1-CD1 3.75Å; H231-F237 AromaticContact CE1-CE1 3.78Å; H231-F237 AromaticContact CG-CD1 3.96Å; H231-F237 AromaticContact CG-CE1 3.81Å; H231-F237 AromaticContact ND1-CD1 3.51Å; H231-F237 AromaticContact ND1-CE1 3.75Å; H231-F237 AromaticContact NE2-CE1 3.89Å; H231-M242 HydrophobicContact CB-CE 3.37Å; H231-M242 WeakPolarHBondContact ND1-CE 3.49Å; H231-L243 PolarHBondContact N-O 3.15Å; H231-V244 HydrophobicContact CB-CB 4.2Å; H231-V244 HydrophobicContact CB-CG1 4.11Å; H231-V244 HydrophobicContact CB-CG2 3.71Å; H231-P245 WeakPolarHBondContact O-CD 3.33Å
232	V	87.7	Confident	87.6	Confident	50 Å²	50	43.4 Å²	43.4	30%	0.303	24%	0.243	S	C	.	.			trans	-96.7	108.3	171.8	-178.7	0	0	0	0	108.7	G234 T235	V232-G234 PolarHBondContact O-N 3.1Å; V232-T235 HydrophobicContact CB-CG2 4.13Å; V232-T235 HydrophobicContact CG1-CG2 4.09Å; V232-T235 PolarHBondContact O-N 3.45Å; V232-T235 PolarHBondContact O-OG1 3Å
233	N	83.8	Confident	87.8	Confident	41 Å²	41	44.5 Å²	44.5	22%	0.219	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	124.5	-175.6	-72.3	-12	0	0	0	113.6	K202 P245 K247	K202-N233 WeakPolarHBondContact CE-O 3.35Å; K202-N233 PolarHBondContact NZ-O 3.38Å; N233-P245 PolarHBondContact ND2-O 3.34Å; N233-K247 WeakPolarHBondContact ND2-CG 3.33Å
234	G	79.6	Confident	88	Confident	26 Å²	26	46.8 Å²	46.8	27%	0.268	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	10.5	178.8	0	0	0	0	0	114.5	V232	V232-G234 PolarHBondContact O-N 3.1Å
235	T	83.9	Confident	88.2	Confident	59 Å²	59	44.1 Å²	44.1	36%	0.362	25%	0.245	S	C	.	.	S	Bend	trans	-101.6	175.8	163.7	68.4	0	0	0	0	110.4	Q187 H231 V232	Q187-T235 PolarHBondContact OE1-O 2.9Å; H231-T235 PolarHBondContact CE1-O 3.48Å; V232-T235 HydrophobicContact CB-CG2 4.13Å; V232-T235 HydrophobicContact CG1-CG2 4.09Å; V232-T235 PolarHBondContact O-N 3.45Å; V232-T235 PolarHBondContact O-OG1 3Å
236	E	85.8	Confident	88.3	Confident	67 Å²	67	46.1 Å²	46.1	31%	0.313	24%	0.242	S	C	.	.			trans	-75.5	154.2	171.4	-63	-170.3	157.4	0	0	112.1	Q187 H188 V199 Q238	Q187-E236 HydrophobicContact CB-CG 4.24Å; H188-E236 IonicContact CE1-OE1 3.57Å; H188-E236 IonicContact CE1-OE2 4Å; H188-E236 IonicContact ND1-OE1 3.38Å; H188-E236 PolarHBondContact ND1-OE1 3.15Å; V199-E236 HydrophobicContact CG2-CG 4.22Å; E236-Q238 PolarHBondContact O-N 3.13Å; E236-Q238 PolarHBondContact O-NE2 2.9Å
237	F	88.6	Confident	88	Confident	25 Å²	25	52.2 Å²	52.2	11%	0.11	27%	0.269	C	S	.	.			trans	-70.6	111.4	172.3	-63.8	-51.3	0	0	0	110.8	W183 A184 K185 Q187 H231 M242 V244	W183-F237 HydrophobicContact CB-CE2 3.98Å; W183-F237 HydrophobicContact CB-CZ 4.49Å; W183-F237 HydrophobicContact CD2-CE2 4.32Å; W183-F237 AromaticContact CD2-CZ 3.97Å; W183-F237 HydrophobicContact CD2-CZ 3.97Å; W183-F237 HydrophobicContact CE3-CE1 4.02Å; W183-F237 AromaticContact CE3-CE2 3.89Å; W183-F237 HydrophobicContact CE3-CE2 3.89Å; W183-F237 AromaticContact CE3-CZ 3.23Å; W183-F237 HydrophobicContact CE3-CZ 3.23Å; W183-F237 HydrophobicContact CG-CE2 4.43Å; W183-F237 HydrophobicContact CZ3-CE1 4.17Å; W183-F237 AromaticContact CZ3-CZ 3.72Å; W183-F237 HydrophobicContact CZ3-CZ 3.72Å; A184-F237 VanDerWaalsContact O-CD2 3.28Å; A184-F237 WeakPolarHBondContact O-CD2 3.23Å; K185-F237 HydrophobicContact CG-CB 4.26Å; Q187-F237 HydrophobicContact CG-CD2 4.32Å; H231-F237 AromaticContact CD2-CE1 3.91Å; H231-F237 AromaticContact CE1-CD1 3.75Å; H231-F237 AromaticContact CE1-CE1 3.78Å; H231-F237 AromaticContact CG-CD1 3.96Å; H231-F237 AromaticContact CG-CE1 3.81Å; H231-F237 AromaticContact ND1-CD1 3.51Å; H231-F237 AromaticContact ND1-CE1 3.75Å; H231-F237 AromaticContact NE2-CE1 3.89Å; F237-M242 HydrophobicContact CB-SD 4.35Å; F237-M242 HydrophobicContact CD1-CE 3.84Å; F237-V244 HydrophobicContact CE1-CG2 3.95Å
238	Q	85.9	Confident	87.1	Confident	119 Å²	119	54.9 Å²	54.9	56%	0.556	28%	0.282	S	S	*	.			trans	-73.9	-29.6	-178.4	-58	-55	-56.1	0	0	112.4	E236 M242	E236-Q238 PolarHBondContact O-N 3.13Å; E236-Q238 PolarHBondContact O-NE2 2.9Å; Q238-M242 HydrophobicContact CB-SD 4.5Å
239	N	87.1	Confident	85.8	Confident	27 Å²	27	61.8 Å²	61.8	14%	0.144	31%	0.312	C	S	.	.	S	Bend	trans	-127.7	160.2	-177.5	-56.8	65.9	0	0	0	110.1	H229 M242	H229-N239 PolarHBondContact CD2-ND2 3.02Å; H229-N239 PolarHBondContact NE2-ND2 3.41Å; N239-M242 HydrophobicContact CB-CG 3.88Å; N239-M242 HydrophobicContact CB-SD 3.67Å; N239-M242 PolarHBondContact N-SD 2.99Å; N239-M242 WeakPolarHBondContact O-CG 3.12Å; N239-M242 VanDerWaalsContact O-SD 3.36Å
240	T	87.2	Confident	84.1	Confident	90 Å²	90	66.8 Å²	66.8	55%	0.552	34%	0.344	S	S	*	.	S	Bend	trans	-68.2	-39.9	174.6	45.5	0	0	0	0	112	K185	K185-T240 HydrophobicContact CD-CG2 4.03Å
241	D	89.3	Confident	82.2	Confident	41 Å²	41	72.6 Å²	72.6	22%	0.219	37%	0.37	C	S	.	.	S	Bend	trans	-119.5	117.2	-176.1	-51.3	-78.2	0	0	0	108.2	L14 R161	L14-D241 HydrophobicContact CD1-CB 3.39Å; R161-D241 IonicContact NH1-OD1 3.93Å
242	M	92	Very high	79.7	Confident	33 Å²	33	81.3 Å²	81.3	16%	0.163	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153.9	-175.5	-15.4	-158.2	-43.3	0	0	109.9	H229 H231 F237 Q238 N239	H229-M242 HydrophobicContact CB-CB 4.43Å; H229-M242 CarbonylContact O-C 3.53Å; H229-M242 WeakPolarHBondContact O-CA 3.3Å; H229-M242 VanDerWaalsContact O-CB 3.3Å; H229-M242 WeakPolarHBondContact O-CB 3.38Å; H231-M242 HydrophobicContact CB-CE 3.37Å; H231-M242 WeakPolarHBondContact ND1-CE 3.49Å; F237-M242 HydrophobicContact CB-SD 4.35Å; F237-M242 HydrophobicContact CD1-CE 3.84Å; Q238-M242 HydrophobicContact CB-SD 4.5Å; N239-M242 HydrophobicContact CB-CG 3.88Å; N239-M242 HydrophobicContact CB-SD 3.67Å; N239-M242 PolarHBondContact N-SD 2.99Å; N239-M242 WeakPolarHBondContact O-CG 3.12Å; N239-M242 VanDerWaalsContact O-SD 3.36Å
243	L	93.3	Very high	77.2	Confident	22 Å²	22	84.4 Å²	84.4	12%	0.115	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.8	167.6	-67.2	177.5	0	0	0	109.3	Y28 A222 L228 H229 L230 H231 P245	Y28-L243 HydrophobicContact CD1-CD1 3.96Å; Y28-L243 HydrophobicContact CD1-CD2 3.82Å; Y28-L243 HydrophobicContact CD2-CD2 4.34Å; Y28-L243 HydrophobicContact CE1-CD1 3.79Å; Y28-L243 HydrophobicContact CE1-CD2 4.47Å; Y28-L243 HydrophobicContact CG-CD1 4.49Å; Y28-L243 HydrophobicContact CG-CD2 3.73Å; A222-L243 HydrophobicContact CB-CD1 4.22Å; L228-L243 HydrophobicContact CB-CD1 4.34Å; L228-L243 HydrophobicContact CB-CG 4.01Å; L228-L243 HydrophobicContact CD1-CD2 3.93Å; L228-L243 HydrophobicContact CD1-CG 3.89Å; H229-L243 PolarHBondContact O-N 2.93Å; L230-L243 WeakPolarHBondContact CA-O 3.44Å; L230-L243 HydrophobicContact CD1-CB 4.33Å; L230-L243 HydrophobicContact CD1-CD1 4.17Å; L230-L243 HydrophobicContact CG-CB 4.35Å; H231-L243 PolarHBondContact N-O 3.15Å; L243-P245 WeakPolarHBondContact O-CD 3.34Å
244	V	92.6	Very high	74.8	Confident	52 Å²	52	88.3 Å²	88.3	32%	0.315	45%	0.452	S	S	.	.			trans	-112.7	100.3	178.1	-173.8	0	0	0	0	110.4	W183 H231 F237 W246	W183-V244 HydrophobicContact CE3-CG2 4.43Å; W183-V244 HydrophobicContact CH2-CB 4.18Å; W183-V244 HydrophobicContact CH2-CG1 3.75Å; W183-V244 HydrophobicContact CZ3-CB 3.68Å; W183-V244 HydrophobicContact CZ3-CG1 3.56Å; W183-V244 HydrophobicContact CZ3-CG2 3.68Å; H231-V244 HydrophobicContact CB-CB 4.2Å; H231-V244 HydrophobicContact CB-CG1 4.11Å; H231-V244 HydrophobicContact CB-CG2 3.71Å; F237-V244 HydrophobicContact CE1-CG2 3.95Å; V244-W246 PolarHBondContact O-N 3.13Å
245	P	90.1	Very high	72.7	Confident	42 Å²	42	93.5 Å²	93.5	27%	0.273	47%	0.473	S	S	.	.			trans	-72.1	133.5	-171.1	27.8	-34.1	0	0	0	112	L230 H231 N233 L243 K247	L230-P245 HydrophobicContact CD2-CG 4.35Å; H231-P245 WeakPolarHBondContact O-CD 3.33Å; N233-P245 PolarHBondContact ND2-O 3.34Å; L243-P245 WeakPolarHBondContact O-CD 3.34Å; P245-K247 PolarHBondContact O-N 3.04Å
246	W	86.3	Confident	70.2	Confident	76 Å²	76	99.7 Å²	99.7	29%	0.288	50%	0.498	S	S	.	.			trans	-66.9	124.4	163.8	-176.5	-100.5	0	0	0	109.5	I36 E39 F40 V244	I36-W246 HydrophobicContact CB-CG 4.47Å; I36-W246 HydrophobicContact CD1-CB 3.92Å; I36-W246 HydrophobicContact CD1-CD2 3.6Å; I36-W246 HydrophobicContact CD1-CE3 3.91Å; I36-W246 HydrophobicContact CD1-CG 3.59Å; I36-W246 HydrophobicContact CG2-CG 4.14Å; E39-W246 HydrophobicContact CG-CZ2 4.27Å; F40-W246 HydrophobicContact CB-CH2 4.37Å; F40-W246 HydrophobicContact CD2-CH2 4.16Å; F40-W246 HydrophobicContact CD2-CZ3 4.03Å; V244-W246 PolarHBondContact O-N 3.13Å
247	K	79	Confident	68	Low	128 Å²	128	106.4 Å²	106.4	56%	0.557	54%	0.543	S	S	*	.			trans	-108.7	115.4	173.2	-73.7	-170.2	179.8	-173.2	0	109.6	N233 P245 K249	N233-K247 WeakPolarHBondContact ND2-CG 3.33Å; P245-K247 PolarHBondContact O-N 3.04Å; K247-K249 PolarHBondContact O-N 3.27Å
248	K	71.5	Confident	67	Low	151 Å²	151	110.5 Å²	110.5	66%	0.657	57%	0.565	S	S	*	*			trans	-59	132	169.1	179.1	159.3	-166.3	-180	0	109.4	E39 T250	E39-K248 VanDerWaalsContact OE1-CA 3.22Å; E39-K248 WeakPolarHBondContact OE1-CA 3.22Å; E39-K248 WeakPolarHBondContact OE1-CG 3.47Å; E39-K248 WeakPolarHBondContact OE2-CD 3.37Å; E39-K248 WeakPolarHBondContact OE2-CG 3.43Å; K248-T250 PolarHBondContact O-N 2.99Å; K248-T250 VanDerWaalsContact O-N 3.07Å
249	K	64	Low	66	Low	156 Å²	156	110 Å²	110	68%	0.678	57%	0.565	S	S	*	*			trans	-69.8	106.8	168.4	-79.6	-173.6	178.4	-179	0	107.2	E39 K247 H251	E39-K249 PolarHBondContact OE1-N 3.42Å; K247-K249 PolarHBondContact O-N 3.27Å; K249-H251 PolarHBondContact O-N 2.86Å; K249-H251 VanDerWaalsContact O-N 3.13Å
250	T	56.3	Low	64.8	Low	131 Å²	131	114.6 Å²	114.6	80%	0.804	59%	0.589	S	S	*	*			trans	-65.1	110.9	164.8	33.6	0	0	0	0	107.5	K248 K252	K248-T250 PolarHBondContact O-N 2.99Å; K248-T250 VanDerWaalsContact O-N 3.07Å; T250-K252 PolarHBondContact O-N 3.07Å; T250-K252 VanDerWaalsContact O-N 3.15Å
251	H	50.8	Low	63.5	Low	173 Å²	173	116.1 Å²	116.1	80%	0.801	59%	0.591	S	S	*	*			trans	-61.1	117.1	164.6	-80	-82.3	0	0	0	106.5	K249 V253	K249-H251 PolarHBondContact O-N 2.86Å; K249-H251 VanDerWaalsContact O-N 3.13Å; H251-V253 PolarHBondContact O-N 3.03Å
252	K	39	Very low	61.8	Low	198 Å²	198	120.8 Å²	120.8	86%	0.861	61%	0.614	S	S	*	*			trans	-59.3	110.4	163.2	-79.9	-172.2	174.4	-173.9	0	105.5	T250 T254	T250-K252 PolarHBondContact O-N 3.07Å; T250-K252 VanDerWaalsContact O-N 3.15Å; K252-T254 VanDerWaalsContact C-N 3.29Å; K252-T254 PolarHBondContact O-N 2.81Å
253	V	34.2	Very low	59.8	Low	116 Å²	116	126.6 Å²	126.6	70%	0.703	64%	0.644	S	S	*	*			trans	-64.3	101.6	163.7	-178.8	0	0	0	0	104.2	H251 D255	H251-V253 PolarHBondContact O-N 3.03Å; V253-D255 WeakPolarHBondContact CG1-OD1 3.45Å; V253-D255 PolarHBondContact O-N 2.98Å; V253-D255 VanDerWaalsContact O-N 3.07Å
254	T	35	Very low	57.5	Low	123 Å²	123	134.1 Å²	134.1	76%	0.755	68%	0.682	S	S	*	*			trans	-69.8	95.9	161.5	24.1	0	0	0	0	105.5	K252 Q256	K252-T254 VanDerWaalsContact C-N 3.29Å; K252-T254 PolarHBondContact O-N 2.81Å; T254-Q256 PolarHBondContact O-N 3.34Å
255	D	34.1	Very low	54.8	Low	134 Å²	134	140.4 Å²	140.4	72%	0.717	71%	0.71	S	S	*	*			trans	-57.6	107.2	161.4	-68.7	-32.9	0	0	0	106.6	V253 V257	V253-D255 WeakPolarHBondContact CG1-OD1 3.45Å; V253-D255 PolarHBondContact O-N 2.98Å; V253-D255 VanDerWaalsContact O-N 3.07Å; D255-V257 PolarHBondContact O-N 3.31Å
256	Q	31.3	Very low	51.8	Low	190 Å²	190	148.6 Å²	148.6	89%	0.888	75%	0.747	S	S	*	*			trans	-76	104.5	161	-73.6	-171.3	-6.7	0	0	106.1	T254	T254-Q256 PolarHBondContact O-N 3.34Å
257	V	40.1	Very low	48.7	Very low	207 Å²	207	155.2 Å²	155.2	100%	1.255	79%	0.788	S	S	*	*			trans	-78.2	0	159.8	178.9	0	0	0	0	108.5	D255	D255-V257 PolarHBondContact O-N 3.31Å

Retrieved 257 of 257 residues in 163.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).