A0A077Z8F6_TRITR Loading...

PLDc 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8F6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	33.9	Very low	228 Å²	228	164.6 Å²	164.6	100%	1.123	85%	0.854	S	S	*	*				0	100	0	-72.1	177.1	-166.3	0	0	108.9
2	F	36.4	Very low	33.4	Very low	212 Å²	212	157.6 Å²	157.6	93%	0.93	83%	0.83	S	S	*	*			trans	-165.6	82.3	156.5	-88.2	-65.5	0	0	0	106.4	R4	F2-R4 PolarHBondContact O-N 3.05Å
3	A	37.1	Very low	33.2	Very low	103 Å²	103	152.3 Å²	152.3	85%	0.851	82%	0.822	S	S	*	*			trans	-68.7	112.5	170.7	0	0	0	0	0	107.9	K5	A3-K5 PolarHBondContact O-N 2.93Å
4	R	35.9	Very low	32.8	Very low	247 Å²	247	153.2 Å²	153.2	93%	0.932	82%	0.818	S	S	*	*			trans	-67.1	113.8	174.8	-74.3	-178.8	176.1	-177.2	-1.3	108.5	F2 A6	F2-R4 PolarHBondContact O-N 3.05Å; R4-A6 PolarHBondContact O-N 3.49Å
5	K	33.4	Very low	32.5	Very low	207 Å²	207	150.7 Å²	150.7	90%	0.9	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-58.8	121.6	169.7	-80.6	178.7	172.7	178.4	0	109.3	A3	A3-K5 PolarHBondContact O-N 2.93Å
6	A	36.8	Very low	32.3	Very low	88 Å²	88	151.6 Å²	151.6	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70	140.8	164.7	0	0	0	0	0	109.4	R4	R4-A6 PolarHBondContact O-N 3.49Å
7	P	32.5	Very low	32.2	Very low	125 Å²	125	149.3 Å²	149.3	81%	0.812	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-75.7	134.8	-175	24	-23.8	0	0	0	112	A9	P7-A9 PolarHBondContact O-N 3.3Å
8	N	30	Very low	32.2	Very low	157 Å²	157	148.7 Å²	148.7	84%	0.84	79%	0.79	S	S	*	*			trans	-60	97.8	168.4	-77.9	-20.4	0	0	0	109.9	N10	N8-N10 PolarHBondContact O-N 2.91Å
9	A	34.4	Very low	32.3	Very low	73 Å²	73	151.6 Å²	151.6	60%	0.603	80%	0.795	S	S	*	*			trans	-82.5	95.9	162.2	0	0	0	0	0	108	P7 Y11	P7-A9 PolarHBondContact O-N 3.3Å; A9-Y11 VanDerWaalsContact C-N 3.26Å; A9-Y11 HydrophobicContact CB-CD2 4.12Å; A9-Y11 HydrophobicContact CB-CE2 4.02Å; A9-Y11 PolarHBondContact O-N 3.2Å
10	N	29.1	Very low	32.7	Very low	156 Å²	156	146.7 Å²	146.7	83%	0.834	77%	0.771	S	S	*	*			trans	-60	90.8	163.5	-83	-24.1	0	0	0	108.5	N8 S12	N8-N10 PolarHBondContact O-N 2.91Å; N10-S12 VanDerWaalsContact C-N 3.26Å; N10-S12 PolarHBondContact O-N 3.05Å
11	Y	30.8	Very low	33.3	Very low	215 Å²	215	143.6 Å²	143.6	84%	0.843	76%	0.759	S	S	*	*			trans	-74	87.3	162.7	-85.3	-88	0	0	0	107.6	A9 A13	A9-Y11 VanDerWaalsContact C-N 3.26Å; A9-Y11 HydrophobicContact CB-CD2 4.12Å; A9-Y11 HydrophobicContact CB-CE2 4.02Å; A9-Y11 PolarHBondContact O-N 3.2Å; Y11-A13 PolarHBondContact O-N 3.48Å; Y11-A13 VanDerWaalsContact O-N 3.07Å
12	S	28.2	Very low	33.8	Very low	80 Å²	80	141.7 Å²	141.7	56%	0.559	74%	0.739	S	S	*	*			trans	-61.8	109.3	159.5	56.4	0	0	0	0	107	N10 H14	N10-S12 VanDerWaalsContact C-N 3.26Å; N10-S12 PolarHBondContact O-N 3.05Å; S12-H14 VanDerWaalsContact C-N 3.25Å; S12-H14 PolarHBondContact O-N 3.27Å
13	A	30.7	Very low	34.5	Very low	89 Å²	89	138.3 Å²	138.3	74%	0.736	73%	0.726	S	S	*	*			trans	-58.9	92.8	169.2	0	0	0	0	0	108	Y11 T15	Y11-A13 PolarHBondContact O-N 3.48Å; Y11-A13 VanDerWaalsContact O-N 3.07Å; A13-T15 PolarHBondContact O-N 2.76Å; A13-T15 PolarHBondContact O-OG1 3.4Å
14	H	27.9	Very low	35.3	Very low	165 Å²	165	137 Å²	137	76%	0.764	71%	0.705	S	S	*	*			trans	-63.4	91	166	-77.6	-68.6	0	0	0	106.9	S12 F16	S12-H14 VanDerWaalsContact C-N 3.25Å; S12-H14 PolarHBondContact O-N 3.27Å; H14-F16 VanDerWaalsContact C-N 3.28Å; H14-F16 PolarHBondContact O-N 3.22Å
15	T	28.4	Very low	36.1	Very low	115 Å²	115	127.7 Å²	127.7	71%	0.706	67%	0.671	S	S	*	*			trans	-65.7	95	169.7	-20.7	0	0	0	0	105.9	A13 T17	A13-T15 PolarHBondContact O-N 2.76Å; A13-T15 PolarHBondContact O-OG1 3.4Å; T15-T17 HydrophobicContact CG2-CG2 4.23Å; T15-T17 PolarHBondContact O-N 2.89Å
16	F	28.2	Very low	37.2	Very low	166 Å²	166	120.7 Å²	120.7	73%	0.728	64%	0.644	S	S	*	*			trans	-75.3	61.4	174.8	-140.9	-86.2	0	0	0	109	H14 Q18	H14-F16 VanDerWaalsContact C-N 3.28Å; H14-F16 PolarHBondContact O-N 3.22Å; F16-Q18 HydrophobicContact CD1-CB 4.49Å; F16-Q18 HydrophobicContact CD1-CG 4.21Å; F16-Q18 HydrophobicContact CE1-CB 4.47Å; F16-Q18 HydrophobicContact CE1-CG 3.87Å; F16-Q18 PolarHBondContact O-N 2.93Å
17	T	30.4	Very low	38.2	Very low	112 Å²	112	122.4 Å²	122.4	69%	0.687	64%	0.635	S	S	*	*			trans	-89.3	67	165.1	49.5	0	0	0	0	108	T15 K19	T15-T17 HydrophobicContact CG2-CG2 4.23Å; T15-T17 PolarHBondContact O-N 2.89Å; T17-K19 PolarHBondContact O-N 3.16Å; T17-K19 VanDerWaalsContact O-N 3.12Å
18	Q	32.8	Very low	39.6	Very low	139 Å²	139	120.8 Å²	120.8	65%	0.65	62%	0.619	S	S	*	*			trans	-64.1	111.8	156.5	-83	-173.7	-14.4	0	0	106.2	F16 V20	F16-Q18 HydrophobicContact CD1-CB 4.49Å; F16-Q18 HydrophobicContact CD1-CG 4.21Å; F16-Q18 HydrophobicContact CE1-CB 4.47Å; F16-Q18 HydrophobicContact CE1-CG 3.87Å; F16-Q18 PolarHBondContact O-N 2.93Å; Q18-V20 PolarHBondContact O-N 3.39Å
19	K	34.1	Very low	41.5	Very low	203 Å²	203	113.5 Å²	113.5	88%	0.883	58%	0.58	S	S	*	*			trans	-61.5	89.8	166.1	-77.9	-179.4	176.1	177.5	0	107.4	T17 T21	T17-K19 PolarHBondContact O-N 3.16Å; T17-K19 VanDerWaalsContact O-N 3.12Å; K19-T21 PolarHBondContact O-N 3.23Å
20	V	40.8	Very low	43	Very low	53 Å²	53	116.4 Å²	116.4	32%	0.321	58%	0.581	S	S	.	*			trans	-65.6	119.1	173.2	179.9	0	0	0	0	107	Q18 N24 F25	Q18-V20 PolarHBondContact O-N 3.39Å; V20-N24 HydrophobicContact CG1-CB 3.48Å; V20-N24 VanDerWaalsContact CG1-CB 3.48Å; V20-F25 HydrophobicContact CB-CD2 4.23Å; V20-F25 HydrophobicContact CB-CE2 3.74Å; V20-F25 HydrophobicContact CB-CZ 3.91Å; V20-F25 HydrophobicContact CG1-CD1 4.33Å; V20-F25 HydrophobicContact CG1-CD2 3.78Å; V20-F25 HydrophobicContact CG1-CE1 4.34Å; V20-F25 HydrophobicContact CG1-CE2 3.8Å; V20-F25 HydrophobicContact CG1-CG 4.06Å; V20-F25 HydrophobicContact CG1-CZ 4.09Å; V20-F25 WeakPolarHBondContact O-CE2 3.47Å
21	T	44.6	Very low	45.5	Very low	82 Å²	82	116.2 Å²	116.2	50%	0.503	58%	0.575	S	S	.	*			trans	-74.4	158.5	178.2	56.1	0	0	0	0	110.8	K19 E23 N24 F25	K19-T21 PolarHBondContact O-N 3.23Å; T21-E23 PolarHBondContact O-N 3.24Å; T21-N24 WeakPolarHBondContact O-CA 3.33Å; T21-N24 WeakPolarHBondContact O-CB 3.4Å; T21-N24 PolarHBondContact O-N 3.07Å; T21-F25 PolarHBondContact O-N 3.29Å; T21-F25 VanDerWaalsContact O-N 3.16Å
22	R	47.4	Very low	48.4	Very low	188 Å²	188	107.6 Å²	107.6	71%	0.709	54%	0.542	S	S	*	.	H	α-helix	trans	-51.2	-39.1	-178.8	-174.2	180	177.9	-171.3	-1.4	113.6	N24 F25 N26	R22-N24 VanDerWaalsContact C-N 3.3Å; R22-N24 PolarHBondContact O-N 3.1Å; R22-F25 PolarHBondContact O-N 2.98Å; R22-N26 PolarHBondContact O-N 3.04Å
23	E	50.3	Low	51.5	Low	142 Å²	142	105.7 Å²	105.7	66%	0.664	53%	0.529	S	S	*	.	H	α-helix	trans	-63.4	-36	176.1	-69.7	-173.6	170.6	0	0	112.5	T21 K27	T21-E23 PolarHBondContact O-N 3.24Å; E23-K27 VanDerWaalsContact O-CG 3.29Å; E23-K27 WeakPolarHBondContact O-CG 3.41Å; E23-K27 PolarHBondContact O-N 3.2Å
24	N	53.9	Low	54.7	Low	76 Å²	76	101.8 Å²	101.8	41%	0.406	50%	0.495	S	S	.	.	H	α-helix	trans	-73.1	-33.6	177.2	-72.6	-12.2	0	0	0	111.9	V20 T21 R22 K27 L28	V20-N24 HydrophobicContact CG1-CB 3.48Å; V20-N24 VanDerWaalsContact CG1-CB 3.48Å; T21-N24 WeakPolarHBondContact O-CA 3.33Å; T21-N24 WeakPolarHBondContact O-CB 3.4Å; T21-N24 PolarHBondContact O-N 3.07Å; R22-N24 VanDerWaalsContact C-N 3.3Å; R22-N24 PolarHBondContact O-N 3.1Å; N24-K27 PolarHBondContact O-N 3.26Å; N24-L28 WeakPolarHBondContact O-CD1 3.13Å; N24-L28 WeakPolarHBondContact O-CG 3.36Å; N24-L28 PolarHBondContact O-N 3.08Å
25	F	53	Low	58	Low	50 Å²	50	95.9 Å²	95.9	22%	0.219	47%	0.468	C	S	.	.	H	α-helix	trans	-63.8	-46.3	175.7	-83.3	-70.9	0	0	0	112.8	V20 T21 R22 K27 L28 C194	V20-F25 HydrophobicContact CB-CD2 4.23Å; V20-F25 HydrophobicContact CB-CE2 3.74Å; V20-F25 HydrophobicContact CB-CZ 3.91Å; V20-F25 HydrophobicContact CG1-CD1 4.33Å; V20-F25 HydrophobicContact CG1-CD2 3.78Å; V20-F25 HydrophobicContact CG1-CE1 4.34Å; V20-F25 HydrophobicContact CG1-CE2 3.8Å; V20-F25 HydrophobicContact CG1-CG 4.06Å; V20-F25 HydrophobicContact CG1-CZ 4.09Å; V20-F25 WeakPolarHBondContact O-CE2 3.47Å; T21-F25 PolarHBondContact O-N 3.29Å; T21-F25 VanDerWaalsContact O-N 3.16Å; R22-F25 PolarHBondContact O-N 2.98Å; F25-K27 VanDerWaalsContact C-N 3.34Å; F25-K27 PolarHBondContact O-N 2.95Å; F25-L28 PolarHBondContact O-N 2.99Å; F25-C194 HydrophobicContact CD1-CB 3.93Å
26	N	56	Low	61.3	Low	60 Å²	60	90.7 Å²	90.7	32%	0.321	44%	0.436	S	S	.	.	H	α-helix	trans	-67.4	-34.5	178.5	-73.9	-1.1	0	0	0	111.9	R22 L28 C29 V239	R22-N26 PolarHBondContact O-N 3.04Å; N26-L28 VanDerWaalsContact C-N 3.34Å; N26-L28 PolarHBondContact O-N 2.82Å; N26-C29 PolarHBondContact O-N 3.46Å; N26-V239 PolarHBondContact OD1-O 3Å
27	K	58.3	Low	64.6	Low	124 Å²	124	82.8 Å²	82.8	54%	0.539	40%	0.401	S	S	.	.	H	α-helix	trans	-65.5	-31.9	175.9	-76.7	175.8	-177	174.8	0	113.4	E23 N24 F25 C29 Q30	E23-K27 VanDerWaalsContact O-CG 3.29Å; E23-K27 WeakPolarHBondContact O-CG 3.41Å; E23-K27 PolarHBondContact O-N 3.2Å; N24-K27 PolarHBondContact O-N 3.26Å; F25-K27 VanDerWaalsContact C-N 3.34Å; F25-K27 PolarHBondContact O-N 2.95Å; K27-C29 VanDerWaalsContact C-N 3.28Å; K27-C29 PolarHBondContact O-N 3.31Å; K27-Q30 WeakPolarHBondContact O-CG 3.35Å
28	L	63.2	Low	67.9	Low	92 Å²	92	77.6 Å²	77.6	48%	0.482	37%	0.369	S	S	.	.	H	α-helix	trans	-71.7	-20.9	-179.7	-76.7	162	0	0	0	113.7	N24 F25 N26	N24-L28 WeakPolarHBondContact O-CD1 3.13Å; N24-L28 WeakPolarHBondContact O-CG 3.36Å; N24-L28 PolarHBondContact O-N 3.08Å; F25-L28 PolarHBondContact O-N 2.99Å; N26-L28 VanDerWaalsContact C-N 3.34Å; N26-L28 PolarHBondContact O-N 2.82Å
29	C	68.9	Low	71	Confident	3 Å²	3	71 Å²	71	2%	0.02	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	38.9	-172	-66.3	0	0	0	0	111.4	N26 K27 F32 C194 L240	N26-C29 PolarHBondContact O-N 3.46Å; K27-C29 VanDerWaalsContact C-N 3.28Å; K27-C29 PolarHBondContact O-N 3.31Å; C29-F32 WeakPolarHBondContact O-CD1 3.22Å; C29-C194 WeakPolarHBondContact CB-SG 3.36Å; C29-C194 WeakPolarHBondContact SG-CB 3.3Å; C29-C194 PolarHBondContact SG-N 3.42Å; C29-C194 VanDerWaalsContact SG-N 3.39Å; C29-C194 CovalentContact SG-SG 2.07Å; C29-C194 PolarHBondContact SG-SG 2.9Å; C29-L240 HydrophobicContact CB-CD2 3.67Å
30	Q	66.8	Low	74	Confident	135 Å²	135	63.2 Å²	63.2	63%	0.631	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-33.6	-177.7	-77.2	-179.2	-6.3	0	0	114.7	K27	K27-Q30 WeakPolarHBondContact O-CG 3.35Å
31	H	81.8	Confident	76.7	Confident	152 Å²	152	60.8 Å²	60.8	70%	0.704	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	44.4	-178.4	-60.3	98.2	0	0	0	111.1	N191	H31-N191 PolarHBondContact O-ND2 3.42Å
32	F	91.2	Very high	79.1	Confident	34 Å²	34	59.7 Å²	59.7	15%	0.149	28%	0.281	C	S	.	.			trans	-83.2	158.8	178.8	78.6	-71.7	0	0	0	111	C29 I34 L190 N191 C192 L240 S241	C29-F32 WeakPolarHBondContact O-CD1 3.22Å; F32-I34 HydrophobicContact CD2-CD1 4.05Å; F32-I34 HydrophobicContact CD2-CG1 3.75Å; F32-I34 HydrophobicContact CE2-CD1 3.59Å; F32-I34 HydrophobicContact CE2-CG1 3.64Å; F32-L190 CarbonylContact C-O 3.55Å; F32-L190 VanDerWaalsContact CA-O 3.24Å; F32-L190 WeakPolarHBondContact CA-O 3.34Å; F32-N191 WeakPolarHBondContact CB-O 3.48Å; F32-C192 HydrophobicContact CB-CB 4.09Å; F32-L240 HydrophobicContact CD1-CD1 4.48Å; F32-L240 HydrophobicContact CD2-CD1 3.9Å; F32-L240 HydrophobicContact CE1-CB 3.72Å; F32-L240 HydrophobicContact CE1-CD1 4.25Å; F32-L240 HydrophobicContact CE1-CD2 4.36Å; F32-L240 HydrophobicContact CE1-CG 4.33Å; F32-L240 HydrophobicContact CE2-CB 4.05Å; F32-L240 HydrophobicContact CE2-CD1 3.65Å; F32-L240 HydrophobicContact CE2-CG 4.45Å; F32-L240 HydrophobicContact CG-CD1 4.32Å; F32-L240 HydrophobicContact CZ-CB 3.4Å; F32-L240 HydrophobicContact CZ-CD1 3.86Å; F32-L240 HydrophobicContact CZ-CG 4.15Å; F32-S241 WeakPolarHBondContact CE1-O 3.31Å; F32-S241 VanDerWaalsContact CZ-O 3.23Å; F32-S241 WeakPolarHBondContact CZ-O 3.25Å
33	S	93.6	Very high	81.3	Confident	40 Å²	40	55.1 Å²	55.1	28%	0.28	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.2	168.2	-177.2	0	0	0	0	109.3	E35 V189 L190	S33-E35 PolarHBondContact OG-OE1 3.24Å; S33-V189 CarbonylContact O-C 3.55Å; S33-V189 WeakPolarHBondContact O-CA 3.46Å; S33-L190 PolarHBondContact N-O 3.08Å; S33-L190 PolarHBondContact O-N 3.23Å
34	I	96.6	Very high	83.4	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.1	168.8	-64	-179.3	0	0	0	106.3	F32 V187 L188 V189 Y242 I249	F32-I34 HydrophobicContact CD2-CD1 4.05Å; F32-I34 HydrophobicContact CD2-CG1 3.75Å; F32-I34 HydrophobicContact CE2-CD1 3.59Å; F32-I34 HydrophobicContact CE2-CG1 3.64Å; I34-V187 HydrophobicContact CG2-CG2 3.48Å; I34-V187 VanDerWaalsContact CG2-CG2 3.48Å; I34-L188 WeakPolarHBondContact CA-O 3.26Å; I34-V189 HydrophobicContact CG1-CG1 4.19Å; I34-V189 HydrophobicContact CG1-CG2 4.11Å; I34-Y242 HydrophobicContact CB-CD2 4.03Å; I34-Y242 HydrophobicContact CB-CE2 3.95Å; I34-Y242 HydrophobicContact CG2-CE2 4.29Å; I34-Y242 WeakPolarHBondContact O-CE2 3.26Å; I34-I249 HydrophobicContact CD1-CD1 3.3Å
35	E	97.1	Very high	85.2	Confident	41 Å²	41	50.4 Å²	50.4	19%	0.192	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.4	-179.1	-67.9	168.7	-142.3	0	0	108.5	S33 R61 V187 L188	S33-E35 PolarHBondContact OG-OE1 3.24Å; E35-R61 VanDerWaalsContact CD-NH1 3.33Å; E35-R61 IonicContact OE1-CZ 3.28Å; E35-R61 IonicContact OE1-NH1 2.69Å; E35-R61 PolarHBondContact OE1-NH1 2.86Å; E35-R61 IonicContact OE1-NH2 3.59Å; E35-R61 IonicContact OE2-NH1 2.78Å; E35-R61 PolarHBondContact OE2-NH1 3.33Å; E35-R61 VanDerWaalsContact OE2-NH1 3.11Å; E35-V187 CarbonylContact O-C 3.59Å; E35-V187 WeakPolarHBondContact O-CA 3.27Å; E35-L188 HydrophobicContact CB-CB 4.37Å; E35-L188 PolarHBondContact N-O 2.98Å; E35-L188 PolarHBondContact O-N 2.98Å
36	I	98.4	Very high	87.2	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.9	166.5	-57.9	-57.6	0	0	0	108.2	P52 L185 I387 L416 M420 I423	I36-P52 HydrophobicContact CG2-CB 4.47Å; I36-P52 HydrophobicContact CG2-CG 4.46Å; I36-P52 WeakPolarHBondContact O-CB 3.16Å; I36-L185 HydrophobicContact CG2-CD1 4.14Å; I36-L185 HydrophobicContact CG2-CG 4.24Å; I36-I387 HydrophobicContact CD1-CD1 3.55Å; I36-L416 HydrophobicContact CD1-CD1 3.94Å; I36-L416 HydrophobicContact CG1-CD1 4.21Å; I36-M420 HydrophobicContact CD1-CG 4.45Å; I36-M420 HydrophobicContact CD1-SD 3.62Å; I36-M420 HydrophobicContact CG1-SD 3.83Å; I36-M420 HydrophobicContact CG2-SD 4.03Å; I36-I423 HydrophobicContact CB-CD1 4.43Å; I36-I423 HydrophobicContact CG2-CD1 3.63Å
37	V	98.5	Very high	88.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.5	-175.8	172.2	0	0	0	0	108.5	T53 A58 Y168 L185 G186 L188	V37-T53 CarbonylContact C-O 3.44Å; V37-T53 VanDerWaalsContact CA-O 3.25Å; V37-T53 WeakPolarHBondContact CA-O 3.48Å; V37-T53 WeakPolarHBondContact CG1-O 3.5Å; V37-A58 HydrophobicContact CB-CB 4.34Å; V37-A58 HydrophobicContact CG1-CB 3.66Å; V37-A58 HydrophobicContact CG2-CB 3.66Å; V37-Y168 HydrophobicContact CB-CE2 4.42Å; V37-Y168 HydrophobicContact CG1-CE2 4.09Å; V37-L185 CarbonylContact O-C 3.47Å; V37-L185 WeakPolarHBondContact O-CA 3.32Å; V37-G186 PolarHBondContact N-O 2.79Å; V37-G186 PolarHBondContact O-N 3.24Å; V37-L188 HydrophobicContact CG2-CB 3.69Å
38	E	98.3	Very high	90	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.1	178	-72.7	-167.3	127.7	0	0	112.4	I40 P52 T53 S54 T55 E184 L185 I423 R426	E38-I40 HydrophobicContact CB-CD1 4.03Å; E38-P52 HydrophobicContact CB-CB 4.28Å; E38-P52 HydrophobicContact CB-CG 4.41Å; E38-P52 HydrophobicContact CG-CB 4.17Å; E38-P52 HydrophobicContact CG-CG 3.94Å; E38-P52 VanDerWaalsContact OE2-CD 3.27Å; E38-P52 WeakPolarHBondContact OE2-CD 3.37Å; E38-P52 WeakPolarHBondContact OE2-CG 3.28Å; E38-T53 PolarHBondContact N-O 3.42Å; E38-S54 CarbonylContact O-C 3.55Å; E38-S54 WeakPolarHBondContact O-CA 3.45Å; E38-T55 PolarHBondContact O-N 3.46Å; E38-T55 VanDerWaalsContact O-N 3.16Å; E38-E184 CarbonylContact C-O 3.49Å; E38-E184 WeakPolarHBondContact CA-O 3.38Å; E38-L185 HydrophobicContact CG-CB 4.42Å; E38-L185 HydrophobicContact CG-CD1 3.98Å; E38-L185 HydrophobicContact CG-CG 4.22Å; E38-I423 WeakPolarHBondContact OE1-CG2 3.47Å; E38-R426 VanDerWaalsContact CD-NH2 3.26Å; E38-R426 IonicContact OE1-CZ 3.81Å; E38-R426 IonicContact OE1-NH2 3.11Å; E38-R426 PolarHBondContact OE1-NH2 3.09Å; E38-R426 IonicContact OE2-CZ 3.55Å; E38-R426 VanDerWaalsContact OE2-CZ 3.23Å; E38-R426 IonicContact OE2-NH1 2.8Å; E38-R426 PolarHBondContact OE2-NH1 3.21Å; E38-R426 IonicContact OE2-NH2 3.93Å; E38-R426 PolarHBondContact OE2-NH2 3.39Å
39	S	98.4	Very high	90.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.8	159.4	-60.4	0	0	0	0	108.3	T55 S178 K182 M183 E184	S39-T55 WeakPolarHBondContact OG-CB 3.41Å; S39-T55 PolarHBondContact OG-OG1 3.25Å; S39-S178 WeakPolarHBondContact CB-O 3.41Å; S39-S178 PolarHBondContact OG-O 2.89Å; S39-K182 WeakPolarHBondContact CB-O 3.06Å; S39-K182 VanDerWaalsContact O-O 3.06Å; S39-M183 WeakPolarHBondContact O-CA 3.42Å; S39-E184 PolarHBondContact N-O 2.88Å; S39-E184 PolarHBondContact O-N 3.09Å
40	I	97.3	Very high	91.7	Very high	40 Å²	40	61.2 Å²	61.2	21%	0.205	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-101.2	124.3	172.8	-53.4	-50.2	0	0	0	108.2	E38 I44 F46 L51 M183	E38-I40 HydrophobicContact CB-CD1 4.03Å; I40-I44 HydrophobicContact CG2-CB 4.07Å; I40-I44 HydrophobicContact CG2-CG2 3.88Å; I40-F46 HydrophobicContact CD1-CE2 4.01Å; I40-F46 HydrophobicContact CG2-CE2 4.01Å; I40-L51 HydrophobicContact CG1-CD1 4.27Å; I40-M183 HydrophobicContact CD1-CE 3.76Å; I40-M183 HydrophobicContact CD1-SD 4.11Å
41	P	97	Very high	93	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.019	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-57.6	144.2	176.7	-27.2	35	0	0	0	113.2	N43 I44 N180 K182 M183 V358	P41-N43 PolarHBondContact O-N 3.17Å; P41-I44 HydrophobicContact CB-CD1 3.95Å; P41-I44 HydrophobicContact CB-CG1 4.14Å; P41-I44 HydrophobicContact CG-CD1 3.8Å; P41-I44 WeakPolarHBondContact O-CB 3.5Å; P41-I44 PolarHBondContact O-N 3.2Å; P41-N180 CarbonylContact C-O 3.43Å; P41-N180 VanDerWaalsContact CA-O 3.25Å; P41-N180 WeakPolarHBondContact CA-O 3.34Å; P41-K182 VanDerWaalsContact CG-C 3.48Å; P41-M183 WeakPolarHBondContact CD-SD 3.1Å; P41-M183 HydrophobicContact CG-CG 4.12Å; P41-M183 HydrophobicContact CG-SD 4.08Å; P41-V358 HydrophobicContact CB-CG1 3.7Å; P41-V358 HydrophobicContact CG-CG1 3.81Å; P41-V358 HydrophobicContact CG-CG2 4.03Å
42	E	96	Very high	93.7	Very high	59 Å²	59	52.2 Å²	52.2	28%	0.276	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	136.5	169.9	-73.8	168.8	-177.1	0	0	110.6	I44 S91 N180 Q181 H365 R372	E42-I44 VanDerWaalsContact C-N 3.27Å; E42-I44 PolarHBondContact O-N 2.87Å; E42-S91 PolarHBondContact OE1-OG 2.87Å; E42-S91 PolarHBondContact OE2-OG 2.9Å; E42-N180 HydrophobicContact CG-CB 4.26Å; E42-N180 PolarHBondContact N-O 3.42Å; E42-N180 PolarHBondContact OE1-ND2 3.32Å; E42-Q181 PolarHBondContact OE2-NE2 3.02Å; E42-H365 IonicContact OE2-NE2 2.95Å; E42-R372 PolarHBondContact O-NH1 2.91Å; E42-R372 PolarHBondContact O-NH2 2.79Å
43	N	93	Very high	94	Very high	92 Å²	92	53.4 Å²	53.4	49%	0.492	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	17.9	-176	-56.4	106	0	0	0	116.3	P41 V361 H365	P41-N43 PolarHBondContact O-N 3.17Å; N43-V361 HydrophobicContact CB-CB 4.35Å; N43-V361 HydrophobicContact CB-CG2 4Å; N43-H365 PolarHBondContact OD1-CE1 2.69Å
44	I	93.6	Very high	94.2	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.077	29%	0.291	C	S	.	.			trans	-95.3	131	159.6	-74.2	-170.3	0	0	0	109.2	I40 P41 E42 F46 M183 F356 V358 P359 Y432	I40-I44 HydrophobicContact CG2-CB 4.07Å; I40-I44 HydrophobicContact CG2-CG2 3.88Å; P41-I44 HydrophobicContact CB-CD1 3.95Å; P41-I44 HydrophobicContact CB-CG1 4.14Å; P41-I44 HydrophobicContact CG-CD1 3.8Å; P41-I44 WeakPolarHBondContact O-CB 3.5Å; P41-I44 PolarHBondContact O-N 3.2Å; E42-I44 VanDerWaalsContact C-N 3.27Å; E42-I44 PolarHBondContact O-N 2.87Å; I44-F46 HydrophobicContact CG2-CD2 4.19Å; I44-F46 HydrophobicContact CG2-CE1 4.31Å; I44-F46 HydrophobicContact CG2-CE2 3.57Å; I44-F46 HydrophobicContact CG2-CZ 3.64Å; I44-M183 HydrophobicContact CD1-SD 4.31Å; I44-F356 HydrophobicContact CD1-CE1 4.24Å; I44-V358 HydrophobicContact CD1-CB 4.25Å; I44-V358 HydrophobicContact CD1-CG1 3.89Å; I44-V358 HydrophobicContact CD1-CG2 3.96Å; I44-P359 HydrophobicContact CG1-CG 4.15Å; I44-Y432 HydrophobicContact CB-CE2 4.45Å; I44-Y432 HydrophobicContact CG1-CE1 4.48Å; I44-Y432 HydrophobicContact CG1-CE2 4.44Å; I44-Y432 HydrophobicContact CG2-CD2 4.23Å; I44-Y432 HydrophobicContact CG2-CE2 3.7Å
45	T	93	Very high	94.3	Very high	104 Å²	104	52.9 Å²	52.9	64%	0.638	29%	0.289	S	S	*	.			trans	-122.2	148.2	172.3	55.5	0	0	0	0	110.6	Y432	T45-Y432 PolarHBondContact N-OH 2.98Å; T45-Y432 VanDerWaalsContact N-OH 3.15Å; T45-Y432 VanDerWaalsContact O-CE2 3.29Å; T45-Y432 WeakPolarHBondContact O-CE2 3.25Å; T45-Y432 PolarHBondContact O-OH 3.45Å
46	F	93.3	Very high	94.4	Very high	24 Å²	24	52.9 Å²	52.9	11%	0.105	29%	0.288	C	S	.	.			trans	-125.3	158.8	173.3	-63.1	-73.8	0	0	0	109.5	I40 I44 T48 L51 M183 F356 R426 Y432	I40-F46 HydrophobicContact CD1-CE2 4.01Å; I40-F46 HydrophobicContact CG2-CE2 4.01Å; I44-F46 HydrophobicContact CG2-CD2 4.19Å; I44-F46 HydrophobicContact CG2-CE1 4.31Å; I44-F46 HydrophobicContact CG2-CE2 3.57Å; I44-F46 HydrophobicContact CG2-CZ 3.64Å; F46-T48 HydrophobicContact CB-CG2 4.27Å; F46-T48 PolarHBondContact O-N 2.97Å; F46-L51 HydrophobicContact CD2-CD2 3.99Å; F46-M183 HydrophobicContact CE2-CE 4.23Å; F46-M183 HydrophobicContact CZ-CE 3.86Å; F46-M183 HydrophobicContact CZ-SD 4.24Å; F46-F356 HydrophobicContact CE1-CZ 4.49Å; F46-F356 HydrophobicContact CZ-CZ 4.38Å; F46-R426 HydrophobicContact CB-CG 3.89Å; F46-R426 HydrophobicContact CD1-CG 3.68Å; F46-R426 HydrophobicContact CE1-CG 4.36Å; F46-R426 HydrophobicContact CG-CG 3.81Å; F46-Y432 HydrophobicContact CE1-CD2 4.34Å; F46-Y432 HydrophobicContact CE1-CE2 4.42Å
47	D	87.9	Confident	94.4	Very high	174 Å²	174	55.2 Å²	55.2	93%	0.93	31%	0.305	S	S	*	.	S	Bend	trans	-77.7	46.5	177.6	-55.4	-31.1	0	0	0	111.8
48	T	87.1	Confident	94.4	Very high	53 Å²	53	55.2 Å²	55.2	33%	0.325	31%	0.305	S	S	.	.			trans	-160.4	138.6	175.8	-173.9	0	0	0	0	110.7	F46 N50 L51 R426	F46-T48 HydrophobicContact CB-CG2 4.27Å; F46-T48 PolarHBondContact O-N 2.97Å; T48-N50 PolarHBondContact OG1-N 3.25Å; T48-L51 HydrophobicContact CG2-CD2 4.29Å; T48-R426 HydrophobicContact CG2-CG 4.23Å
49	D	80.9	Confident	94.5	Very high	162 Å²	162	55.3 Å²	55.3	87%	0.866	31%	0.305	S	S	*	.	S	Bend	trans	-85.8	-13.8	173.6	-59.7	-43.6	0	0	0	112.5	L51	D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3.39Å
50	N	86.8	Confident	94.5	Very high	143 Å²	143	56.1 Å²	56.1	77%	0.765	31%	0.311	S	S	*	.			trans	-87.6	69.3	-176.8	-69.8	-19.6	0	0	0	110.8	T48	T48-N50 PolarHBondContact OG1-N 3.25Å
51	L	93.9	Very high	94.5	Very high	76 Å²	76	59.2 Å²	59.2	40%	0.398	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-85.7	143.4	173	-62.5	175.7	0	0	0	111	I40 F46 T48 D49 R426	I40-L51 HydrophobicContact CG1-CD1 4.27Å; F46-L51 HydrophobicContact CD2-CD2 3.99Å; T48-L51 HydrophobicContact CG2-CD2 4.29Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3.39Å; L51-R426 VanDerWaalsContact CD2-NH1 3.3Å
52	P	96.3	Very high	94.6	Very high	22 Å²	22	59 Å²	59	14%	0.143	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-58.1	161.3	172.8	-25.1	35.8	0	0	0	113.1	I36 E38 S54 I423	I36-P52 HydrophobicContact CG2-CB 4.47Å; I36-P52 HydrophobicContact CG2-CG 4.46Å; I36-P52 WeakPolarHBondContact O-CB 3.16Å; E38-P52 HydrophobicContact CB-CB 4.28Å; E38-P52 HydrophobicContact CB-CG 4.41Å; E38-P52 HydrophobicContact CG-CB 4.17Å; E38-P52 HydrophobicContact CG-CG 3.94Å; E38-P52 VanDerWaalsContact OE2-CD 3.27Å; E38-P52 WeakPolarHBondContact OE2-CD 3.37Å; E38-P52 WeakPolarHBondContact OE2-CG 3.28Å; P52-S54 PolarHBondContact O-N 2.97Å; P52-I423 HydrophobicContact CG-CD1 3.78Å; P52-I423 HydrophobicContact CG-CG1 4.31Å
53	T	97.3	Very high	94.7	Very high	58 Å²	58	56.5 Å²	56.5	36%	0.356	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	136.7	173.8	-64	0	0	0	0	110.5	V37 E38 A58	V37-T53 CarbonylContact C-O 3.44Å; V37-T53 VanDerWaalsContact CA-O 3.25Å; V37-T53 WeakPolarHBondContact CA-O 3.48Å; V37-T53 WeakPolarHBondContact CG1-O 3.5Å; E38-T53 PolarHBondContact N-O 3.42Å; T53-A58 HydrophobicContact CG2-CB 4.44Å
54	S	98.3	Very high	95	Very high	36 Å²	36	55.7 Å²	55.7	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	148.6	-179	82.9	0	0	0	0	112.5	E38 P52 Y56 S57 A58	E38-S54 CarbonylContact O-C 3.55Å; E38-S54 WeakPolarHBondContact O-CA 3.45Å; P52-S54 PolarHBondContact O-N 2.97Å; S54-Y56 PolarHBondContact O-N 2.85Å; S54-S57 PolarHBondContact O-N 2.96Å; S54-S57 WeakPolarHBondContact OG-CB 3.18Å; S54-S57 PolarHBondContact OG-N 3.39Å; S54-S57 PolarHBondContact OG-OG 2.91Å; S54-A58 WeakPolarHBondContact O-CB 3Å; S54-A58 PolarHBondContact O-N 2.03Å
55	T	98.7	Very high	95.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-54.7	-40.2	172.2	-56	0	0	0	0	112.1	E38 S39 A58 W59 Y168 A172 L179	E38-T55 PolarHBondContact O-N 3.46Å; E38-T55 VanDerWaalsContact O-N 3.16Å; S39-T55 WeakPolarHBondContact OG-CB 3.41Å; S39-T55 PolarHBondContact OG-OG1 3.25Å; T55-A58 PolarHBondContact O-N 3.34Å; T55-W59 HydrophobicContact CG2-CD2 3.96Å; T55-W59 VanDerWaalsContact CG2-CE2 3.48Å; T55-W59 HydrophobicContact CG2-CG 4.31Å; T55-W59 HydrophobicContact CG2-CH2 4.43Å; T55-W59 HydrophobicContact CG2-CZ2 3.77Å; T55-W59 WeakPolarHBondContact O-CB 3.13Å; T55-W59 VanDerWaalsContact O-CG 3.32Å; T55-W59 PolarHBondContact O-N 3.39Å; T55-Y168 HydrophobicContact CG2-CE2 4.13Å; T55-A172 HydrophobicContact CG2-CB 3.79Å; T55-L179 HydrophobicContact CG2-CD2 4.01Å
56	Y	98.7	Very high	95.5	Very high	41 Å²	41	53.6 Å²	53.6	16%	0.161	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-46.8	174.9	165.1	-101.1	0	0	0	112.3	S54 W59 S60 M94 R97 I98 L179	S54-Y56 PolarHBondContact O-N 2.85Å; Y56-W59 PolarHBondContact O-N 3.3Å; Y56-S60 WeakPolarHBondContact CE2-OG 3.25Å; Y56-S60 VanDerWaalsContact O-CB 3.3Å; Y56-S60 WeakPolarHBondContact O-CB 3.3Å; Y56-S60 PolarHBondContact O-N 3.41Å; Y56-S60 PolarHBondContact O-OG 3.31Å; Y56-M94 HydrophobicContact CD1-CG 4.17Å; Y56-M94 HydrophobicContact CD1-SD 4.22Å; Y56-M94 HydrophobicContact CD2-CB 3.54Å; Y56-M94 HydrophobicContact CD2-CG 3.85Å; Y56-M94 HydrophobicContact CD2-SD 4.44Å; Y56-M94 HydrophobicContact CE2-CB 4.03Å; Y56-M94 HydrophobicContact CE2-CG 4.25Å; Y56-M94 WeakPolarHBondContact CE2-O 3.41Å; Y56-M94 HydrophobicContact CG-CB 3.94Å; Y56-M94 HydrophobicContact CG-CG 3.8Å; Y56-M94 HydrophobicContact CG-SD 3.86Å; Y56-R97 HydrophobicContact CE2-CB 4.12Å; Y56-R97 WeakPolarHBondContact OH-CD 3.36Å; Y56-R97 PolarHBondContact OH-NE 2.95Å; Y56-I98 HydrophobicContact CD2-CD1 4.02Å; Y56-I98 HydrophobicContact CD2-CG1 4.05Å; Y56-I98 HydrophobicContact CE2-CD1 4.15Å; Y56-I98 HydrophobicContact CE2-CG1 4.31Å; Y56-L179 HydrophobicContact CD2-CD1 4.49Å
57	S	98.7	Very high	95.7	Very high	55 Å²	55	59 Å²	59	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-42.1	178	-61.3	0	0	0	0	111.3	S54 S60 R61	S54-S57 PolarHBondContact O-N 2.96Å; S54-S57 WeakPolarHBondContact OG-CB 3.18Å; S54-S57 PolarHBondContact OG-N 3.39Å; S54-S57 PolarHBondContact OG-OG 2.91Å; S57-S60 PolarHBondContact O-N 2.98Å; S57-R61 VanDerWaalsContact O-CB 3.28Å; S57-R61 WeakPolarHBondContact O-CB 3.29Å; S57-R61 PolarHBondContact O-N 3.14Å
58	A	98.8	Very high	96.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-46.2	177.6	0	0	0	0	0	111.8	V37 T53 S54 T55 R61 L62 L188	V37-A58 HydrophobicContact CB-CB 4.34Å; V37-A58 HydrophobicContact CG1-CB 3.66Å; V37-A58 HydrophobicContact CG2-CB 3.66Å; T53-A58 HydrophobicContact CG2-CB 4.44Å; S54-A58 WeakPolarHBondContact O-CB 3Å; S54-A58 PolarHBondContact O-N 2.03Å; T55-A58 PolarHBondContact O-N 3.34Å; A58-R61 PolarHBondContact O-N 3.21Å; A58-L62 WeakPolarHBondContact O-CB 3.33Å; A58-L62 PolarHBondContact O-N 2.96Å; A58-L188 HydrophobicContact CB-CB 4.35Å; A58-L188 HydrophobicContact CB-CD2 4.11Å
59	W	98.8	Very high	96.7	Very high	5 Å²	5	55.9 Å²	55.9	2%	0.019	30%	0.295	C	S	.	.	H	α-helix	trans	-67.1	-43.4	177.3	-70.1	3.8	0	0	0	112.2	T55 Y56 R61 L62 I63 L79 I98 I160 Y168 A172 N173 L174 L179	T55-W59 HydrophobicContact CG2-CD2 3.96Å; T55-W59 VanDerWaalsContact CG2-CE2 3.48Å; T55-W59 HydrophobicContact CG2-CG 4.31Å; T55-W59 HydrophobicContact CG2-CH2 4.43Å; T55-W59 HydrophobicContact CG2-CZ2 3.77Å; T55-W59 WeakPolarHBondContact O-CB 3.13Å; T55-W59 VanDerWaalsContact O-CG 3.32Å; T55-W59 PolarHBondContact O-N 3.39Å; Y56-W59 PolarHBondContact O-N 3.3Å; W59-R61 VanDerWaalsContact C-N 3.32Å; W59-R61 PolarHBondContact O-N 3.46Å; W59-L62 PolarHBondContact O-N 3.4Å; W59-I63 VanDerWaalsContact O-CG1 3.29Å; W59-I63 WeakPolarHBondContact O-CG1 3.42Å; W59-I63 PolarHBondContact O-N 3.36Å; W59-L79 HydrophobicContact CZ3-CD2 4.41Å; W59-I98 HydrophobicContact CB-CD1 3.83Å; W59-I98 HydrophobicContact CE3-CG1 4.34Å; W59-I98 HydrophobicContact CE3-CG2 4.28Å; W59-I160 HydrophobicContact CD2-CD1 3.96Å; W59-I160 HydrophobicContact CG-CD1 4Å; W59-Y168 AromaticContact CD1-CD1 3.99Å; W59-Y168 AromaticContact CD1-CD2 3.92Å; W59-Y168 AromaticContact CD1-CG 3.7Å; W59-Y168 AromaticContact CE2-CD1 3.98Å; W59-Y168 AromaticContact CE2-CE1 3.89Å; W59-Y168 HydrophobicContact CZ2-CD1 4.3Å; W59-Y168 AromaticContact CZ2-CE1 3.87Å; W59-Y168 HydrophobicContact CZ2-CE1 3.87Å; W59-Y168 AromaticContact NE1-CD1 3.09Å; W59-Y168 AromaticContact NE1-CD2 3.54Å; W59-Y168 AromaticContact NE1-CE1 3.28Å; W59-Y168 VanDerWaalsContact NE1-CE1 3.28Å; W59-Y168 AromaticContact NE1-CE2 3.7Å; W59-Y168 AromaticContact NE1-CG 3.23Å; W59-Y168 AromaticContact NE1-CZ 3.59Å; W59-A172 HydrophobicContact CH2-CB 4.18Å; W59-A172 HydrophobicContact CZ2-CB 3.82Å; W59-N173 VanDerWaalsContact CH2-O 3.32Å; W59-N173 WeakPolarHBondContact CH2-O 3.27Å; W59-L174 HydrophobicContact CE3-CD1 4.27Å; W59-L174 HydrophobicContact CH2-CD1 4.1Å; W59-L174 HydrophobicContact CZ3-CD1 3.71Å; W59-L179 HydrophobicContact CD2-CD2 4.42Å; W59-L179 HydrophobicContact CE3-CD2 3.77Å; W59-L179 HydrophobicContact CH2-CD2 4.29Å; W59-L179 HydrophobicContact CZ3-CD2 3.69Å
60	S	98.8	Very high	97.6	Very high	16 Å²	16	48.2 Å²	48.2	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-46.4	176.5	-65	0	0	0	0	111.2	Y56 S57 S64	Y56-S60 WeakPolarHBondContact CE2-OG 3.25Å; Y56-S60 VanDerWaalsContact O-CB 3.3Å; Y56-S60 WeakPolarHBondContact O-CB 3.3Å; Y56-S60 PolarHBondContact O-N 3.41Å; Y56-S60 PolarHBondContact O-OG 3.31Å; S57-S60 PolarHBondContact O-N 2.98Å; S60-S64 VanDerWaalsContact O-CB 3.3Å; S60-S64 WeakPolarHBondContact O-CB 3.01Å; S60-S64 PolarHBondContact O-N 2.78Å; S60-S64 PolarHBondContact O-OG 2.91Å
61	R	98.6	Very high	98.2	Very high	105 Å²	105	42 Å²	42	40%	0.396	22%	0.22	S	C	.	.	H	α-helix	trans	-60.6	-49.2	175.1	-177.3	178.6	-179.7	-164.5	1.4	110.6	E35 S57 A58 W59 I63 S64 L65	E35-R61 VanDerWaalsContact CD-NH1 3.33Å; E35-R61 IonicContact OE1-CZ 3.28Å; E35-R61 IonicContact OE1-NH1 2.69Å; E35-R61 PolarHBondContact OE1-NH1 2.86Å; E35-R61 IonicContact OE1-NH2 3.59Å; E35-R61 IonicContact OE2-NH1 2.78Å; E35-R61 PolarHBondContact OE2-NH1 3.33Å; E35-R61 VanDerWaalsContact OE2-NH1 3.11Å; S57-R61 VanDerWaalsContact O-CB 3.28Å; S57-R61 WeakPolarHBondContact O-CB 3.29Å; S57-R61 PolarHBondContact O-N 3.14Å; A58-R61 PolarHBondContact O-N 3.21Å; W59-R61 VanDerWaalsContact C-N 3.32Å; W59-R61 PolarHBondContact O-N 3.46Å; R61-I63 PolarHBondContact O-N 3.42Å; R61-S64 PolarHBondContact O-N 3.36Å; R61-S64 PolarHBondContact O-OG 2.7Å; R61-L65 HydrophobicContact CG-CD1 4.33Å; R61-L65 WeakPolarHBondContact O-CG 3.37Å; R61-L65 PolarHBondContact O-N 3.04Å; R61-L65 VanDerWaalsContact O-N 3.14Å
62	L	98.2	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-47.8	-177.8	-175.6	61.9	0	0	0	111.8	A58 W59 S64 L65 I160 V162 H166 L188	A58-L62 WeakPolarHBondContact O-CB 3.33Å; A58-L62 PolarHBondContact O-N 2.96Å; W59-L62 PolarHBondContact O-N 3.4Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-S64 PolarHBondContact O-N 2.84Å; L62-L65 PolarHBondContact O-N 3.45Å; L62-I160 HydrophobicContact CD2-CB 3.72Å; L62-I160 HydrophobicContact CD2-CG2 3.66Å; L62-I160 HydrophobicContact CG-CG2 4.33Å; L62-V162 HydrophobicContact CD1-CB 3.85Å; L62-V162 HydrophobicContact CD1-CG2 3.72Å; L62-V162 HydrophobicContact CD2-CG2 4.4Å; L62-V162 HydrophobicContact CG-CB 4.32Å; L62-V162 HydrophobicContact CG-CG2 3.61Å; L62-H166 HydrophobicContact CD1-CB 3.36Å; L62-L188 HydrophobicContact CB-CD1 4.22Å; L62-L188 HydrophobicContact CD1-CD1 4.27Å; L62-L188 HydrophobicContact CD2-CD1 4.41Å
63	I	98.7	Very high	98.5	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-36.6	177.3	-62.5	162.8	0	0	0	111.1	W59 R61 L65 A66 I70 I98 Q101 L102	W59-I63 VanDerWaalsContact O-CG1 3.29Å; W59-I63 WeakPolarHBondContact O-CG1 3.42Å; W59-I63 PolarHBondContact O-N 3.36Å; R61-I63 PolarHBondContact O-N 3.42Å; I63-L65 PolarHBondContact O-N 3.48Å; I63-A66 WeakPolarHBondContact O-CB 3.47Å; I63-A66 PolarHBondContact O-N 3.17Å; I63-I70 HydrophobicContact CG2-CD1 4.1Å; I63-I98 HydrophobicContact CD1-CD1 4.32Å; I63-I98 HydrophobicContact CD1-CG2 4.04Å; I63-Q101 HydrophobicContact CD1-CB 4.4Å; I63-Q101 HydrophobicContact CG2-CB 3.94Å; I63-L102 HydrophobicContact CD1-CD2 3.9Å; I63-L102 HydrophobicContact CD1-CG 4.07Å; I63-L102 HydrophobicContact CG1-CD2 4.18Å
64	S	98.3	Very high	98.6	Very high	74 Å²	74	34.8 Å²	34.8	52%	0.517	18%	0.179	S	C	.	.	H	α-helix	trans	-65.5	-25.4	178.2	76.9	0	0	0	0	113.9	S60 R61 L62 A66	S60-S64 VanDerWaalsContact O-CB 3.3Å; S60-S64 WeakPolarHBondContact O-CB 3.01Å; S60-S64 PolarHBondContact O-N 2.78Å; S60-S64 PolarHBondContact O-OG 2.91Å; R61-S64 PolarHBondContact O-N 3.36Å; R61-S64 PolarHBondContact O-OG 2.7Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-S64 PolarHBondContact O-N 2.84Å; S64-A66 VanDerWaalsContact C-N 3.3Å
65	L	98.1	Very high	98.5	Very high	66 Å²	66	34.5 Å²	34.5	35%	0.346	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.3	178.3	-70	170.7	0	0	0	113.1	R61 L62 I63 E67 L190	R61-L65 HydrophobicContact CG-CD1 4.33Å; R61-L65 WeakPolarHBondContact O-CG 3.37Å; R61-L65 PolarHBondContact O-N 3.04Å; R61-L65 VanDerWaalsContact O-N 3.14Å; L62-L65 PolarHBondContact O-N 3.45Å; I63-L65 PolarHBondContact O-N 3.48Å; L65-E67 PolarHBondContact O-N 3.36Å; L65-L190 HydrophobicContact CD1-CD2 3.94Å
66	A	98.5	Very high	98.5	Very high	9 Å²	9	35.4 Å²	35.4	7%	0.074	18%	0.176	C	C	.	.			trans	-72.9	126.7	-175.2	0	0	0	0	0	112	I63 S64 I70 I111 V162	I63-A66 WeakPolarHBondContact O-CB 3.47Å; I63-A66 PolarHBondContact O-N 3.17Å; S64-A66 VanDerWaalsContact C-N 3.3Å; A66-I70 HydrophobicContact CB-CD1 3.76Å; A66-I70 HydrophobicContact CB-CG1 3.72Å; A66-I111 HydrophobicContact CB-CD1 3.91Å; A66-I111 HydrophobicContact CB-CG2 4.26Å; A66-I111 VanDerWaalsContact O-CD1 3.24Å; A66-I111 WeakPolarHBondContact O-CD1 3.38Å; A66-V162 VanDerWaalsContact CA-CG1 3.41Å; A66-V162 HydrophobicContact CB-CG1 3.56Å; A66-V162 HydrophobicContact CB-CG2 4.47Å
67	E	98.3	Very high	98.4	Very high	139 Å²	139	33.5 Å²	33.5	65%	0.65	17%	0.169	S	C	*	.	S	Bend	trans	-111.4	-30.1	175.8	-64.3	177.4	176.4	0	0	112.4	L65 D163	L65-E67 PolarHBondContact O-N 3.36Å; E67-D163 PolarHBondContact N-OD2 3.08Å
68	K	98.4	Very high	98.3	Very high	151 Å²	151	30.9 Å²	30.9	66%	0.657	15%	0.151	S	C	*	.	S	Bend	trans	-132	-42.9	-172	-59.3	-178.3	-178.9	-178.1	0	114.1	T112 D163	K68-T112 PolarHBondContact O-N 2.87Å; K68-D163 WeakPolarHBondContact CA-OD1 3.35Å; K68-D163 WeakPolarHBondContact CB-OD1 3.37Å; K68-D163 PolarHBondContact N-OD1 2.96Å
69	S	98.6	Very high	98.3	Very high	10 Å²	10	30.9 Å²	30.9	7%	0.07	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	144	-169.6	59.3	0	0	0	0	114.3	T112 V162 D163	S69-T112 CarbonylContact C-O 3.58Å; S69-T112 WeakPolarHBondContact CA-O 3.39Å; S69-V162 WeakPolarHBondContact O-CA 3.36Å; S69-D163 PolarHBondContact N-OD1 2.94Å; S69-D163 PolarHBondContact O-N 2.89Å; S69-D163 PolarHBondContact OG-OD1 3.15Å
70	I	98.9	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.8	170.5	-51.5	-179.4	0	0	0	108.6	I63 A66 I72 L102 A105 I111 T112 I113 R114 I160 I161 V162	I63-I70 HydrophobicContact CG2-CD1 4.1Å; A66-I70 HydrophobicContact CB-CD1 3.76Å; A66-I70 HydrophobicContact CB-CG1 3.72Å; I70-I72 HydrophobicContact CG2-CD1 4.12Å; I70-I72 HydrophobicContact CG2-CG1 3.84Å; I70-L102 HydrophobicContact CD1-CD2 4.38Å; I70-A105 HydrophobicContact CD1-CB 4.3Å; I70-I111 HydrophobicContact CD1-CG2 4.17Å; I70-I111 HydrophobicContact CG1-CG2 3.8Å; I70-T112 PolarHBondContact N-O 3.03Å; I70-I113 HydrophobicContact CB-CG1 4.12Å; I70-I113 HydrophobicContact CB-CG2 4.24Å; I70-I113 HydrophobicContact CD1-CD1 4.17Å; I70-I113 HydrophobicContact CD1-CG1 4.33Å; I70-I113 HydrophobicContact CG1-CG1 4.38Å; I70-I113 VanDerWaalsContact O-CA 3.31Å; I70-I113 WeakPolarHBondContact O-CA 3.49Å; I70-R114 PolarHBondContact O-N 2.63Å; I70-I160 HydrophobicContact CG2-CG2 3.77Å; I70-I161 CarbonylContact C-O 3.44Å; I70-I161 VanDerWaalsContact CA-O 3.31Å; I70-I161 WeakPolarHBondContact CA-O 3.3Å; I70-V162 HydrophobicContact CG1-CG2 4.18Å; I70-V162 HydrophobicContact CG2-CG2 4.32Å
71	Y	98.8	Very high	97.9	Very high	13 Å²	13	30.7 Å²	30.7	5%	0.051	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.8	173.8	-56.5	-78.5	0	0	0	110	R114 I160 I161 R200 F203	Y71-R114 CarbonylContact C-O 3.54Å; Y71-R114 WeakPolarHBondContact CA-O 3.42Å; Y71-R114 HydrophobicContact CD1-CB 3.89Å; Y71-R114 HydrophobicContact CE1-CB 4.19Å; Y71-R114 HydrophobicContact CE1-CG 4.45Å; Y71-I160 CarbonylContact O-C 3.58Å; Y71-I160 WeakPolarHBondContact O-CA 3.17Å; Y71-I161 HydrophobicContact CD2-CB 4.36Å; Y71-I161 PolarHBondContact N-O 3.45Å; Y71-I161 PolarHBondContact O-N 2.84Å; Y71-R200 VanDerWaalsContact CZ-NH1 3.27Å; Y71-R200 PolarHBondContact OH-NH1 3.4Å; Y71-R200 PolarHBondContact OH-NH2 2.83Å; Y71-F203 AromaticContact CD1-CD1 3.82Å; Y71-F203 HydrophobicContact CD1-CD1 3.82Å; Y71-F203 AromaticContact CD1-CE1 3.42Å; Y71-F203 HydrophobicContact CD1-CE1 3.42Å; Y71-F203 VanDerWaalsContact CD1-CE1 3.42Å; Y71-F203 AromaticContact CD1-CZ 3.86Å; Y71-F203 HydrophobicContact CD1-CZ 3.86Å; Y71-F203 HydrophobicContact CE1-CE1 4.27Å; Y71-F203 HydrophobicContact CG-CD1 4.16Å; Y71-F203 HydrophobicContact CG-CE1 4.12Å; Y71-F203 HydrophobicContact CG-CZ 4.43Å
72	I	98.9	Very high	97.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.4	-173.9	-54.3	177.5	0	0	0	109.9	I70 A74 L102 I113 R114 M115 V116 I160 L174 F203	I70-I72 HydrophobicContact CG2-CD1 4.12Å; I70-I72 HydrophobicContact CG2-CG1 3.84Å; I72-A74 HydrophobicContact CG2-CB 4.14Å; I72-L102 HydrophobicContact CD1-CD1 4.18Å; I72-L102 HydrophobicContact CD1-CD2 3.89Å; I72-I113 HydrophobicContact CD1-CG2 4.22Å; I72-R114 PolarHBondContact N-O 2.9Å; I72-M115 HydrophobicContact CB-CB 4.14Å; I72-M115 HydrophobicContact CB-CG 3.88Å; I72-M115 HydrophobicContact CB-SD 4.25Å; I72-M115 HydrophobicContact CG2-CG 4Å; I72-M115 HydrophobicContact CG2-SD 3.94Å; I72-M115 CarbonylContact O-C 3.55Å; I72-M115 VanDerWaalsContact O-CA 3.26Å; I72-M115 WeakPolarHBondContact O-CA 3.19Å; I72-V116 PolarHBondContact O-N 3.16Å; I72-I160 HydrophobicContact CG1-CG1 4.4Å; I72-I160 HydrophobicContact CG1-CG2 4.36Å; I72-I160 HydrophobicContact CG2-CG1 4.39Å; I72-L174 HydrophobicContact CG2-CD2 4.33Å; I72-F203 WeakPolarHBondContact O-CE2 3.17Å
73	A	98.6	Very high	97.1	Very high	2 Å²	2	33 Å²	33	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.9	160.3	0	0	0	0	0	108.1	V116 M155 K158 F159 Y206	A73-V116 HydrophobicContact CB-CG2 4.11Å; A73-M155 HydrophobicContact CB-CE 3.93Å; A73-K158 VanDerWaalsContact O-CA 3.24Å; A73-K158 WeakPolarHBondContact O-CA 3.32Å; A73-F159 HydrophobicContact CB-CD1 3.83Å; A73-F159 HydrophobicContact CB-CD2 4.03Å; A73-F159 HydrophobicContact CB-CE1 3.5Å; A73-F159 HydrophobicContact CB-CE2 3.69Å; A73-F159 HydrophobicContact CB-CG 4.1Å; A73-F159 HydrophobicContact CB-CZ 3.43Å; A73-F159 VanDerWaalsContact CB-CZ 3.43Å; A73-F159 PolarHBondContact N-O 3.2Å; A73-F159 PolarHBondContact O-N 3.26Å; A73-Y206 HydrophobicContact CB-CD2 4.46Å
74	A	98.4	Very high	96.6	Very high	2 Å²	2	36 Å²	36	2%	0.017	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.6	177.8	0	0	0	0	0	111.1	I72 K76 M115 V116 E117 M155 L174	I72-A74 HydrophobicContact CG2-CB 4.14Å; A74-K76 PolarHBondContact O-N 3.04Å; A74-M115 HydrophobicContact CB-SD 4.47Å; A74-V116 PolarHBondContact N-O 2.99Å; A74-E117 VanDerWaalsContact O-CA 3.26Å; A74-E117 WeakPolarHBondContact O-CA 3.46Å; A74-M155 WeakPolarHBondContact O-CE 3.41Å; A74-L174 HydrophobicContact CB-CB 3.87Å; A74-L174 HydrophobicContact CB-CD2 4.28Å
75	Y	97.8	Very high	96.3	Very high	29 Å²	29	34.9 Å²	34.9	11%	0.114	17%	0.168	C	C	.	.	S	Bend	trans	-54.2	-38.9	170.3	167.7	-116.2	0	0	0	111.5	N118 K122 A154 M155 H156 S157 N173	Y75-N118 HydrophobicContact CD2-CB 4.01Å; Y75-N118 HydrophobicContact CE2-CB 4.31Å; Y75-N118 WeakPolarHBondContact O-CB 3.46Å; Y75-K122 WeakPolarHBondContact OH-CB 3.48Å; Y75-K122 WeakPolarHBondContact OH-CD 3.48Å; Y75-A154 HydrophobicContact CE2-CB 4.11Å; Y75-M155 VanDerWaalsContact CA-O 3.3Å; Y75-M155 WeakPolarHBondContact CA-O 3.47Å; Y75-M155 WeakPolarHBondContact CD2-O 3.27Å; Y75-H156 AromaticContact CD2-CD2 3.74Å; Y75-H156 AromaticContact CG-CD2 3.76Å; Y75-S157 PolarHBondContact N-O 3.42Å; Y75-N173 WeakPolarHBondContact CD1-OD1 3.27Å
76	K	96.9	Very high	95.9	Very high	19 Å²	19	34.3 Å²	34.3	8%	0.083	18%	0.177	C	C	.	.			trans	-156.3	159.1	172.1	63.2	175.1	-168.8	167.9	0	112	A74 D126 N127 N173 L174 D175	A74-K76 PolarHBondContact O-N 3.04Å; K76-D126 HydrophobicContact CB-CB 4.28Å; K76-D126 HydrophobicContact CD-CB 4.32Å; K76-D126 VanDerWaalsContact CD-CG 3.44Å; K76-D126 WeakPolarHBondContact CD-OD1 3.36Å; K76-D126 IonicContact NZ-OD1 2.69Å; K76-D126 PolarHBondContact NZ-OD1 2.95Å; K76-D126 IonicContact NZ-OD2 2.75Å; K76-N127 WeakPolarHBondContact CA-OD1 3.19Å; K76-N173 HydrophobicContact CG-CB 4.4Å; K76-L174 WeakPolarHBondContact O-CB 3.42Å; K76-L174 PolarHBondContact O-N 2.97Å; K76-D175 VanDerWaalsContact CE-OD2 3.26Å; K76-D175 WeakPolarHBondContact CE-OD2 3.44Å; K76-D175 IonicContact NZ-OD2 2.78Å
77	S	97.5	Very high	95.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.8	168	62.4	0	0	0	0	113.3	E117 N127 G130 L174	S77-E117 WeakPolarHBondContact CB-OE1 3.47Å; S77-E117 PolarHBondContact N-OE1 2.75Å; S77-E117 VanDerWaalsContact N-OE1 3.17Å; S77-E117 PolarHBondContact OG-OE1 3.32Å; S77-N127 PolarHBondContact N-OD1 2.85Å; S77-N127 WeakPolarHBondContact O-CA 3.44Å; S77-N127 PolarHBondContact O-N 3.41Å; S77-N127 VanDerWaalsContact OG-CA 3.28Å; S77-N127 WeakPolarHBondContact OG-CA 3.34Å; S77-N127 PolarHBondContact OG-O 3.28Å; S77-G130 VanDerWaalsContact OG-CA 3.3Å; S77-G130 WeakPolarHBondContact OG-CA 3.42Å; S77-G130 PolarHBondContact OG-N 3.19Å; S77-L174 CarbonylContact C-O 3.58Å; S77-L174 VanDerWaalsContact CA-O 3.31Å; S77-L174 WeakPolarHBondContact CA-O 3.21Å
78	S	97	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	48.4	-178	172.6	0	0	0	0	109.8	R80 H83 D129 L174 D175 W176 R177	S78-R80 VanDerWaalsContact C-N 3.3Å; S78-R80 PolarHBondContact O-N 3.29Å; S78-H83 PolarHBondContact OG-CE1 3.34Å; S78-D129 VanDerWaalsContact CA-OD2 3.31Å; S78-D129 WeakPolarHBondContact CA-OD2 3.28Å; S78-L174 PolarHBondContact N-O 3.46Å; S78-D175 WeakPolarHBondContact CB-OD2 3.31Å; S78-D175 WeakPolarHBondContact O-CA 3.35Å; S78-D175 PolarHBondContact OG-OD2 2.68Å; S78-W176 VanDerWaalsContact O-CD1 3.26Å; S78-W176 PolarHBondContact O-N 3.26Å; S78-R177 PolarHBondContact OG-NH2 3.19Å
79	L	98.2	Very high	95.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-64.5	-27.2	-179.2	-71.8	172.7	0	0	0	114.3	W59 G95 E96 I98 F99 L102 D129 L174 W176	W59-L79 HydrophobicContact CZ3-CD2 4.41Å; L79-G95 CarbonylContact O-C 3.56Å; L79-G95 WeakPolarHBondContact O-CA 3.3Å; L79-E96 PolarHBondContact O-N 3.19Å; L79-I98 HydrophobicContact CD1-CB 4.42Å; L79-I98 HydrophobicContact CD1-CG2 3.91Å; L79-I98 HydrophobicContact CD2-CB 4.18Å; L79-I98 HydrophobicContact CD2-CG2 3.98Å; L79-F99 HydrophobicContact CB-CB 4.22Å; L79-F99 HydrophobicContact CD1-CB 4.08Å; L79-L102 HydrophobicContact CD1-CD1 4.21Å; L79-D129 WeakPolarHBondContact CA-OD2 3.41Å; L79-D129 PolarHBondContact N-OD2 3.5Å; L79-L174 HydrophobicContact CD1-CD1 4.14Å; L79-L174 HydrophobicContact CD1-CD2 4.3Å; L79-L174 HydrophobicContact CD1-CG 3.94Å; L79-L174 HydrophobicContact CD2-CD1 3.94Å; L79-L174 HydrophobicContact CD2-CG 3.92Å; L79-L174 HydrophobicContact CG-CD1 4.32Å; L79-L174 HydrophobicContact CG-CG 3.89Å; L79-L174 PolarHBondContact N-O 3.31Å; L79-W176 WeakPolarHBondContact O-CB 3.29Å
80	R	97.3	Very high	95.1	Very high	17 Å²	17	37.6 Å²	37.6	6%	0.064	21%	0.212	C	C	.	.	S	Bend	trans	-104.3	-16.7	-171.8	-60.1	-173	-64.2	-172.3	-5.2	113.7	S78 K82 E96 F99 D129 S132	S78-R80 VanDerWaalsContact C-N 3.3Å; S78-R80 PolarHBondContact O-N 3.29Å; R80-K82 HydrophobicContact CB-CD 4.31Å; R80-K82 HydrophobicContact CB-CG 3.96Å; R80-K82 PolarHBondContact O-N 2.8Å; R80-K82 VanDerWaalsContact O-N 3.1Å; R80-E96 WeakPolarHBondContact CB-OE1 3.4Å; R80-E96 WeakPolarHBondContact CD-OE2 3.41Å; R80-E96 HydrophobicContact CG-CG 4.47Å; R80-E96 WeakPolarHBondContact CG-OE2 3.49Å; R80-F99 HydrophobicContact CG-CB 4.06Å; R80-F99 HydrophobicContact CG-CD2 4.11Å; R80-F99 HydrophobicContact CG-CG 4Å; R80-F99 VanDerWaalsContact NH1-CZ 3.26Å; R80-D129 IonicContact CZ-OD1 3.44Å; R80-D129 PolarHBondContact N-OD2 2.91Å; R80-D129 IonicContact NE-OD1 3.87Å; R80-D129 PolarHBondContact NE-OD1 3.36Å; R80-D129 IonicContact NH2-OD1 2.79Å; R80-D129 PolarHBondContact NH2-OD1 2.89Å; R80-S132 VanDerWaalsContact NH2-CB 3.3Å; R80-S132 PolarHBondContact NH2-OG 3.08Å
81	G	92.2	Very high	94.9	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.			trans	67.3	7.1	-179.9	0	0	0	0	0	115	H83 V84 L85 W176	G81-H83 VanDerWaalsContact C-N 3.28Å; G81-H83 PolarHBondContact O-N 2.72Å; G81-V84 PolarHBondContact O-N 2.93Å; G81-L85 PolarHBondContact O-N 3.18Å; G81-W176 VanDerWaalsContact CA-CD1 3.46Å
82	K	92.8	Very high	94.8	Very high	90 Å²	90	37.5 Å²	37.5	39%	0.391	21%	0.214	S	C	.	.	H	α-helix	trans	-54.4	-39.4	-175.3	-68.9	-176.8	178.1	-177	0	113.8	R80 V84 G86	R80-K82 HydrophobicContact CB-CD 4.31Å; R80-K82 HydrophobicContact CB-CG 3.96Å; R80-K82 PolarHBondContact O-N 2.8Å; R80-K82 VanDerWaalsContact O-N 3.1Å; K82-V84 VanDerWaalsContact C-N 3.26Å; K82-V84 PolarHBondContact O-N 3.22Å; K82-G86 VanDerWaalsContact O-CA 3.25Å; K82-G86 WeakPolarHBondContact O-CA 3.42Å; K82-G86 PolarHBondContact O-N 2.8Å
83	H	87.3	Confident	94.8	Very high	65 Å²	65	39 Å²	39	30%	0.301	23%	0.226	S	C	.	.	H	α-helix	trans	-73.8	-14.7	179.5	65.4	-94.9	0	0	0	113.9	S78 G81 P124 G125	S78-H83 PolarHBondContact OG-CE1 3.34Å; G81-H83 VanDerWaalsContact C-N 3.28Å; G81-H83 PolarHBondContact O-N 2.72Å; H83-P124 PolarHBondContact CD2-O 2.88Å; H83-G125 PolarHBondContact CE1-O 3.35Å; H83-G125 PolarHBondContact ND1-O 3.06Å
84	V	87.5	Confident	94.8	Very high	69 Å²	69	41.4 Å²	41.4	42%	0.418	24%	0.238	S	C	.	.	H	α-helix	trans	-104.3	-37.1	178.3	-175.8	0	0	0	0	111.8	G81 K82	G81-V84 PolarHBondContact O-N 2.93Å; K82-V84 VanDerWaalsContact C-N 3.26Å; K82-V84 PolarHBondContact O-N 3.22Å
85	L	91.6	Very high	94.8	Very high	50 Å²	50	41.4 Å²	41.4	26%	0.262	24%	0.237	S	C	.	.	H	α-helix	trans	-109.1	-13.3	-170.7	-59.5	178.3	0	0	0	113.4	G81 Q87 V89 T92 W176 F364	G81-L85 PolarHBondContact O-N 3.18Å; L85-Q87 PolarHBondContact O-N 2.96Å; L85-V89 HydrophobicContact CD1-CG2 3.63Å; L85-T92 HydrophobicContact CD1-CG2 3.66Å; L85-W176 HydrophobicContact CD1-CH2 4.21Å; L85-W176 HydrophobicContact CD1-CZ2 3.8Å; L85-W176 HydrophobicContact CG-CZ2 4.44Å; L85-F364 HydrophobicContact CD1-CE2 4.1Å; L85-F364 HydrophobicContact CD1-CZ 4.16Å; L85-F364 HydrophobicContact CD2-CE2 3.99Å
86	G	90.4	Very high	94.8	Very high	53 Å²	53	41.3 Å²	41.3	55%	0.546	24%	0.238	S	C	.	.	S	Bend	trans	71.9	-33.5	-176.5	0	0	0	0	0	114.7	K82	K82-G86 VanDerWaalsContact O-CA 3.25Å; K82-G86 WeakPolarHBondContact O-CA 3.42Å; K82-G86 PolarHBondContact O-N 2.8Å
87	Q	91.6	Very high	94.9	Very high	138 Å²	138	45.3 Å²	45.3	65%	0.645	25%	0.253	S	S	*	.	S	Bend	trans	-137.9	152.8	-177	-60.2	-72.1	-8	0	0	110.7	L85	L85-Q87 PolarHBondContact O-N 2.96Å
88	P	93.3	Very high	94.9	Very high	76 Å²	76	45.2 Å²	45.2	49%	0.494	25%	0.252	S	S	.	.			trans	-59.6	141.7	169.7	-21.4	33.4	0	0	0	111.6
89	V	95.1	Very high	95	Very high	45 Å²	45	45.5 Å²	45.5	27%	0.273	25%	0.253	S	S	.	.			trans	-131.2	163.7	174.4	-60.9	0	0	0	0	108.9	L85 S91 T92 F364	L85-V89 HydrophobicContact CD1-CG2 3.63Å; V89-S91 PolarHBondContact O-N 2.82Å; V89-S91 VanDerWaalsContact O-N 3.09Å; V89-T92 HydrophobicContact CG2-CG2 3.85Å; V89-T92 PolarHBondContact N-OG1 3.19Å; V89-T92 VanDerWaalsContact N-OG1 3.11Å; V89-T92 PolarHBondContact O-N 3.21Å; V89-T92 PolarHBondContact O-OG1 2.71Å; V89-F364 HydrophobicContact CG2-CE2 3.88Å; V89-F364 HydrophobicContact CG2-CZ 3.83Å
90	P	95.9	Very high	95	Very high	119 Å²	119	50.4 Å²	50.4	77%	0.773	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-50.2	-40.6	-179.5	-31	37.3	0	0	0	113.9	T92 A93	P90-T92 VanDerWaalsContact C-N 3.27Å; P90-T92 PolarHBondContact O-N 3.09Å; P90-A93 VanDerWaalsContact O-CB 3.23Å; P90-A93 WeakPolarHBondContact O-CB 3.37Å; P90-A93 PolarHBondContact O-N 2.82Å; P90-A93 VanDerWaalsContact O-N 3.16Å
91	S	95.5	Very high	95.1	Very high	10 Å²	10	52.3 Å²	52.3	7%	0.07	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-68.7	-15.5	178.8	-52	0	0	0	0	114.5	E42 V89 N180 F364	E42-S91 PolarHBondContact OE1-OG 2.87Å; E42-S91 PolarHBondContact OE2-OG 2.9Å; V89-S91 PolarHBondContact O-N 2.82Å; V89-S91 VanDerWaalsContact O-N 3.09Å; S91-N180 PolarHBondContact O-ND2 3.39Å; S91-N180 PolarHBondContact O-OD1 3.21Å; S91-F364 VanDerWaalsContact CB-CE1 3.46Å; S91-F364 VanDerWaalsContact OG-CE1 3.27Å; S91-F364 WeakPolarHBondContact OG-CE1 3.16Å
92	T	96.8	Very high	95.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-89.7	-8.3	173.6	62.4	0	0	0	0	113.2	L85 V89 P90 M94 G95 E96 W176	L85-T92 HydrophobicContact CD1-CG2 3.66Å; V89-T92 HydrophobicContact CG2-CG2 3.85Å; V89-T92 PolarHBondContact N-OG1 3.19Å; V89-T92 VanDerWaalsContact N-OG1 3.11Å; V89-T92 PolarHBondContact O-N 3.21Å; V89-T92 PolarHBondContact O-OG1 2.71Å; P90-T92 VanDerWaalsContact C-N 3.27Å; P90-T92 PolarHBondContact O-N 3.09Å; T92-M94 VanDerWaalsContact C-N 3.29Å; T92-M94 PolarHBondContact O-N 3.3Å; T92-G95 PolarHBondContact O-N 3.41Å; T92-E96 PolarHBondContact O-N 2.78Å; T92-W176 HydrophobicContact CG2-CB 4.44Å; T92-W176 HydrophobicContact CG2-CD2 3.76Å; T92-W176 HydrophobicContact CG2-CE3 4.07Å; T92-W176 HydrophobicContact CG2-CG 3.93Å
93	A	98.3	Very high	95.7	Very high	32 Å²	32	49.7 Å²	49.7	26%	0.264	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-35.9	-171.2	0	0	0	0	0	114.1	P90 R97	P90-A93 VanDerWaalsContact O-CB 3.23Å; P90-A93 WeakPolarHBondContact O-CB 3.37Å; P90-A93 PolarHBondContact O-N 2.82Å; P90-A93 VanDerWaalsContact O-N 3.16Å; A93-R97 WeakPolarHBondContact O-CG 3.38Å; A93-R97 PolarHBondContact O-N 3.02Å; A93-R97 VanDerWaalsContact O-N 3.14Å
94	M	98.5	Very high	96.2	Very high	54 Å²	54	51.7 Å²	51.7	27%	0.266	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-43.3	175.5	-71.6	-176.7	-175.4	0	0	111.6	Y56 T92 R97 I98 L179 N180	Y56-M94 HydrophobicContact CD1-CG 4.17Å; Y56-M94 HydrophobicContact CD1-SD 4.22Å; Y56-M94 HydrophobicContact CD2-CB 3.54Å; Y56-M94 HydrophobicContact CD2-CG 3.85Å; Y56-M94 HydrophobicContact CD2-SD 4.44Å; Y56-M94 HydrophobicContact CE2-CB 4.03Å; Y56-M94 HydrophobicContact CE2-CG 4.25Å; Y56-M94 WeakPolarHBondContact CE2-O 3.41Å; Y56-M94 HydrophobicContact CG-CB 3.94Å; Y56-M94 HydrophobicContact CG-CG 3.8Å; Y56-M94 HydrophobicContact CG-SD 3.86Å; T92-M94 VanDerWaalsContact C-N 3.29Å; T92-M94 PolarHBondContact O-N 3.3Å; M94-R97 PolarHBondContact O-N 3.43Å; M94-I98 WeakPolarHBondContact O-CG1 3.17Å; M94-I98 PolarHBondContact O-N 3.07Å; M94-I98 VanDerWaalsContact O-N 3.16Å; M94-L179 HydrophobicContact CB-CB 4.08Å; M94-L179 HydrophobicContact CB-CD1 3.81Å; M94-L179 HydrophobicContact SD-CB 4.18Å; M94-N180 HydrophobicContact SD-CB 4.1Å
95	G	98.5	Very high	96.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-72.7	-37.5	-179.7	0	0	0	0	0	112.7	L79 T92 R97 I98 F99	L79-G95 CarbonylContact O-C 3.56Å; L79-G95 WeakPolarHBondContact O-CA 3.3Å; T92-G95 PolarHBondContact O-N 3.41Å; G95-R97 VanDerWaalsContact C-N 3.31Å; G95-R97 PolarHBondContact O-N 2.97Å; G95-I98 PolarHBondContact O-N 3.12Å; G95-F99 PolarHBondContact O-N 3Å
96	E	98.4	Very high	97.1	Very high	28 Å²	28	46.9 Å²	46.9	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-56	-45	170.7	-68.1	-74.3	-179	0	0	111.3	L79 R80 T92 I98 F99 E100	L79-E96 PolarHBondContact O-N 3.19Å; R80-E96 WeakPolarHBondContact CB-OE1 3.4Å; R80-E96 WeakPolarHBondContact CD-OE2 3.41Å; R80-E96 HydrophobicContact CG-CG 4.47Å; R80-E96 WeakPolarHBondContact CG-OE2 3.49Å; T92-E96 PolarHBondContact O-N 2.78Å; E96-I98 PolarHBondContact O-N 3.36Å; E96-F99 WeakPolarHBondContact O-CB 3.37Å; E96-F99 PolarHBondContact O-N 3.41Å; E96-E100 WeakPolarHBondContact O-CG 3.05Å; E96-E100 PolarHBondContact O-N 3.21Å
97	R	98.7	Very high	97.5	Very high	102 Å²	102	47.5 Å²	47.5	39%	0.385	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-40	177	-74.2	-173.3	-65.9	-101.2	4.3	113.4	Y56 A93 M94 G95 F99 E100 Q101	Y56-R97 HydrophobicContact CE2-CB 4.12Å; Y56-R97 WeakPolarHBondContact OH-CD 3.36Å; Y56-R97 PolarHBondContact OH-NE 2.95Å; A93-R97 WeakPolarHBondContact O-CG 3.38Å; A93-R97 PolarHBondContact O-N 3.02Å; A93-R97 VanDerWaalsContact O-N 3.14Å; M94-R97 PolarHBondContact O-N 3.43Å; G95-R97 VanDerWaalsContact C-N 3.31Å; G95-R97 PolarHBondContact O-N 2.97Å; R97-F99 VanDerWaalsContact C-N 3.33Å; R97-E100 PolarHBondContact O-N 2.99Å; R97-Q101 WeakPolarHBondContact O-CB 3.31Å; R97-Q101 VanDerWaalsContact O-CG 3.28Å; R97-Q101 WeakPolarHBondContact O-CG 3.17Å; R97-Q101 PolarHBondContact O-N 3.49Å
98	I	98.8	Very high	97.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-41.7	174	-63.6	-58	0	0	0	110.5	Y56 W59 I63 L79 M94 G95 E96 E100 Q101 L102 L179	Y56-I98 HydrophobicContact CD2-CD1 4.02Å; Y56-I98 HydrophobicContact CD2-CG1 4.05Å; Y56-I98 HydrophobicContact CE2-CD1 4.15Å; Y56-I98 HydrophobicContact CE2-CG1 4.31Å; W59-I98 HydrophobicContact CB-CD1 3.83Å; W59-I98 HydrophobicContact CE3-CG1 4.34Å; W59-I98 HydrophobicContact CE3-CG2 4.28Å; I63-I98 HydrophobicContact CD1-CD1 4.32Å; I63-I98 HydrophobicContact CD1-CG2 4.04Å; L79-I98 HydrophobicContact CD1-CB 4.42Å; L79-I98 HydrophobicContact CD1-CG2 3.91Å; L79-I98 HydrophobicContact CD2-CB 4.18Å; L79-I98 HydrophobicContact CD2-CG2 3.98Å; M94-I98 WeakPolarHBondContact O-CG1 3.17Å; M94-I98 PolarHBondContact O-N 3.07Å; M94-I98 VanDerWaalsContact O-N 3.16Å; G95-I98 PolarHBondContact O-N 3.12Å; E96-I98 PolarHBondContact O-N 3.36Å; I98-E100 PolarHBondContact O-N 3.11Å; I98-Q101 PolarHBondContact O-N 3.3Å; I98-L102 HydrophobicContact CG2-CD1 4.19Å; I98-L102 WeakPolarHBondContact O-CG 3.35Å; I98-L102 PolarHBondContact O-N 3.4Å; I98-L179 HydrophobicContact CG1-CD1 4.21Å
99	F	98.8	Very high	97.9	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.022	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-46.5	175.6	178.4	-83.1	0	0	0	111.2	L79 R80 G95 E96 R97 L102 L103 D129 L133	L79-F99 HydrophobicContact CB-CB 4.22Å; L79-F99 HydrophobicContact CD1-CB 4.08Å; R80-F99 HydrophobicContact CG-CB 4.06Å; R80-F99 HydrophobicContact CG-CD2 4.11Å; R80-F99 HydrophobicContact CG-CG 4Å; R80-F99 VanDerWaalsContact NH1-CZ 3.26Å; G95-F99 PolarHBondContact O-N 3Å; E96-F99 WeakPolarHBondContact O-CB 3.37Å; E96-F99 PolarHBondContact O-N 3.41Å; R97-F99 VanDerWaalsContact C-N 3.33Å; F99-L102 PolarHBondContact O-N 3.47Å; F99-L103 HydrophobicContact CE1-CD2 4.22Å; F99-L103 WeakPolarHBondContact O-CB 3.38Å; F99-L103 PolarHBondContact O-N 2.87Å; F99-D129 HydrophobicContact CD2-CB 4.06Å; F99-D129 HydrophobicContact CE2-CB 4.16Å; F99-L133 HydrophobicContact CD2-CD1 4.19Å; F99-L133 HydrophobicContact CD2-CD2 4.08Å; F99-L133 HydrophobicContact CD2-CG 3.99Å; F99-L133 HydrophobicContact CE1-CD2 4.32Å; F99-L133 HydrophobicContact CE2-CD1 4.23Å; F99-L133 HydrophobicContact CE2-CD2 3.79Å; F99-L133 HydrophobicContact CE2-CG 3.57Å; F99-L133 HydrophobicContact CG-CD2 4.48Å; F99-L133 HydrophobicContact CZ-CD2 3.89Å; F99-L133 HydrophobicContact CZ-CG 4.08Å
100	E	98.6	Very high	97.7	Very high	103 Å²	103	54.7 Å²	54.7	48%	0.481	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-40.6	176.8	-72.7	174.3	-179.2	0	0	112.6	E96 R97 I98 L103 K104	E96-E100 WeakPolarHBondContact O-CG 3.05Å; E96-E100 PolarHBondContact O-N 3.21Å; R97-E100 PolarHBondContact O-N 2.99Å; I98-E100 PolarHBondContact O-N 3.11Å; E100-L103 PolarHBondContact O-N 3.14Å; E100-K104 WeakPolarHBondContact O-CB 3.21Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 3.04Å
101	Q	98.8	Very high	97.8	Very high	58 Å²	58	49.3 Å²	49.3	27%	0.271	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-44.3	176.5	-76.6	173.7	-17.7	0	0	111.9	I63 R97 I98 A105	I63-Q101 HydrophobicContact CD1-CB 4.4Å; I63-Q101 HydrophobicContact CG2-CB 3.94Å; R97-Q101 WeakPolarHBondContact O-CB 3.31Å; R97-Q101 VanDerWaalsContact O-CG 3.28Å; R97-Q101 WeakPolarHBondContact O-CG 3.17Å; R97-Q101 PolarHBondContact O-N 3.49Å; I98-Q101 PolarHBondContact O-N 3.3Å; Q101-A105 VanDerWaalsContact O-CB 3.22Å; Q101-A105 WeakPolarHBondContact O-CB 3.3Å; Q101-A105 PolarHBondContact O-N 3.18Å
102	L	98.8	Very high	98	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-41.7	176.2	-70.2	173.1	0	0	0	111.7	I63 I70 I72 L79 I98 F99 A105 G106 I113 L133	I63-L102 HydrophobicContact CD1-CD2 3.9Å; I63-L102 HydrophobicContact CD1-CG 4.07Å; I63-L102 HydrophobicContact CG1-CD2 4.18Å; I70-L102 HydrophobicContact CD1-CD2 4.38Å; I72-L102 HydrophobicContact CD1-CD1 4.18Å; I72-L102 HydrophobicContact CD1-CD2 3.89Å; L79-L102 HydrophobicContact CD1-CD1 4.21Å; I98-L102 HydrophobicContact CG2-CD1 4.19Å; I98-L102 WeakPolarHBondContact O-CG 3.35Å; I98-L102 PolarHBondContact O-N 3.4Å; F99-L102 PolarHBondContact O-N 3.47Å; L102-A105 PolarHBondContact O-N 3.17Å; L102-G106 PolarHBondContact O-N 2.77Å; L102-I113 HydrophobicContact CD2-CD1 4.29Å; L102-I113 WeakPolarHBondContact O-CD1 3.48Å; L102-L133 HydrophobicContact CB-CD1 4.23Å; L102-L133 HydrophobicContact CB-CD2 4.25Å; L102-L133 HydrophobicContact CD1-CD1 4.16Å
103	L	98.7	Very high	98.1	Very high	33 Å²	33	52.6 Å²	52.6	17%	0.173	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-55.7	175.3	179.7	58.9	0	0	0	110.4	F99 E100 A105 G106 T107 L133 R136 A138	F99-L103 HydrophobicContact CE1-CD2 4.22Å; F99-L103 WeakPolarHBondContact O-CB 3.38Å; F99-L103 PolarHBondContact O-N 2.87Å; E100-L103 PolarHBondContact O-N 3.14Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 2.89Å; L103-G106 PolarHBondContact O-N 3.3Å; L103-T107 HydrophobicContact CD1-CG2 3.85Å; L103-T107 PolarHBondContact O-N 2.81Å; L103-T107 PolarHBondContact O-OG1 2.78Å; L103-L133 HydrophobicContact CB-CD2 3.92Å; L103-R136 HydrophobicContact CD1-CB 3.92Å; L103-A138 HydrophobicContact CD1-CB 3.87Å
104	K	98.5	Very high	98.1	Very high	106 Å²	106	54.7 Å²	54.7	46%	0.461	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-40.9	179.4	-71.7	-172.8	171.4	179	0	112.9	E100 G106 E108 K109	E100-K104 WeakPolarHBondContact O-CB 3.21Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 3.04Å; K104-G106 VanDerWaalsContact C-N 3.33Å; K104-G106 PolarHBondContact O-N 2.93Å; K104-E108 WeakPolarHBondContact O-CA 3.46Å; K104-E108 WeakPolarHBondContact O-CB 3.09Å; K104-E108 PolarHBondContact O-N 2.69Å; K104-K109 PolarHBondContact O-N 2.88Å
105	A	98.6	Very high	98.1	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-48	176.7	0	0	0	0	0	111.2	I70 Q101 L102 L103 I111 I113	I70-A105 HydrophobicContact CD1-CB 4.3Å; Q101-A105 VanDerWaalsContact O-CB 3.22Å; Q101-A105 WeakPolarHBondContact O-CB 3.3Å; Q101-A105 PolarHBondContact O-N 3.18Å; L102-A105 PolarHBondContact O-N 3.17Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 2.89Å; A105-I111 HydrophobicContact CB-CB 4.43Å; A105-I111 HydrophobicContact CB-CD1 3.89Å; A105-I111 WeakPolarHBondContact O-CB 3.32Å; A105-I111 PolarHBondContact O-N 2.78Å; A105-I113 HydrophobicContact CB-CD1 3.96Å
106	G	98.3	Very high	98	Very high	15 Å²	15	52.1 Å²	52.1	16%	0.155	25%	0.253	C	S	.	.	H	α-helix	trans	-74.6	-31.5	-178.7	0	0	0	0	0	115.3	L102 L103 K104 A138	L102-G106 PolarHBondContact O-N 2.77Å; L103-G106 PolarHBondContact O-N 3.3Å; K104-G106 VanDerWaalsContact C-N 3.33Å; K104-G106 PolarHBondContact O-N 2.93Å; G106-A138 VanDerWaalsContact CA-O 3.3Å; G106-A138 WeakPolarHBondContact CA-O 3.4Å
107	T	98.1	Very high	98	Very high	67 Å²	67	50.8 Å²	50.8	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-106.2	-25.6	-172.2	62.9	0	0	0	0	114.9	L103 R136 A138	L103-T107 HydrophobicContact CD1-CG2 3.85Å; L103-T107 PolarHBondContact O-N 2.81Å; L103-T107 PolarHBondContact O-OG1 2.78Å; T107-R136 WeakPolarHBondContact CG2-O 3.39Å; T107-A138 HydrophobicContact CG2-CB 3.97Å
108	E	97.7	Very high	97.8	Very high	137 Å²	137	46.3 Å²	46.3	64%	0.64	23%	0.23	S	C	*	.	H	α-helix	trans	-112.9	-25.7	-175	-60.6	174.3	-161.9	0	0	112.8	K104	K104-E108 WeakPolarHBondContact O-CA 3.46Å; K104-E108 WeakPolarHBondContact O-CB 3.09Å; K104-E108 PolarHBondContact O-N 2.69Å
109	K	95.9	Very high	97.5	Very high	124 Å²	124	51.2 Å²	51.2	54%	0.539	25%	0.249	S	C	.	.	S	Bend	trans	-106.3	2.1	-175.9	-60.4	-173.2	176.1	-174.3	0	114.8	K104 I111	K104-K109 PolarHBondContact O-N 2.88Å; K109-I111 HydrophobicContact CB-CD1 3.72Å; K109-I111 HydrophobicContact CB-CG1 3.89Å; K109-I111 HydrophobicContact CD-CD1 3.92Å; K109-I111 HydrophobicContact CG-CD1 4.5Å; K109-I111 PolarHBondContact O-N 3.04Å
110	D	91.9	Very high	96.9	Very high	148 Å²	148	60.6 Å²	60.6	79%	0.791	29%	0.285	S	S	*	.			trans	55.4	31.9	-177.5	-161.1	32.9	0	0	0	113.7
111	I	98.6	Very high	96.4	Very high	7 Å²	7	57 Å²	57	4%	0.036	28%	0.276	C	S	.	.			trans	-85.3	126.4	178.1	-63.6	167.1	0	0	0	108.6	A66 I70 A105 K109 I113	A66-I111 HydrophobicContact CB-CD1 3.91Å; A66-I111 HydrophobicContact CB-CG2 4.26Å; A66-I111 VanDerWaalsContact O-CD1 3.24Å; A66-I111 WeakPolarHBondContact O-CD1 3.38Å; I70-I111 HydrophobicContact CD1-CG2 4.17Å; I70-I111 HydrophobicContact CG1-CG2 3.8Å; A105-I111 HydrophobicContact CB-CB 4.43Å; A105-I111 HydrophobicContact CB-CD1 3.89Å; A105-I111 WeakPolarHBondContact O-CB 3.32Å; A105-I111 PolarHBondContact O-N 2.78Å; K109-I111 HydrophobicContact CB-CD1 3.72Å; K109-I111 HydrophobicContact CB-CG1 3.89Å; K109-I111 HydrophobicContact CD-CD1 3.92Å; K109-I111 HydrophobicContact CG-CD1 4.5Å; K109-I111 PolarHBondContact O-N 3.04Å; I111-I113 HydrophobicContact CG2-CG1 4.27Å; I111-I113 PolarHBondContact O-N 2.86Å
112	T	98.6	Very high	95.8	Very high	74 Å²	74	59.3 Å²	59.3	45%	0.454	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	110.4	176.6	-62.9	0	0	0	0	110.7	K68 S69 I70	K68-T112 PolarHBondContact O-N 2.87Å; S69-T112 CarbonylContact C-O 3.58Å; S69-T112 WeakPolarHBondContact CA-O 3.39Å; I70-T112 PolarHBondContact N-O 3.03Å
113	I	98.8	Very high	95.4	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.3	176.4	-49.8	-176.4	0	0	0	110.1	I70 I72 L102 A105 I111 L139 E140	I70-I113 HydrophobicContact CB-CG1 4.12Å; I70-I113 HydrophobicContact CB-CG2 4.24Å; I70-I113 HydrophobicContact CD1-CD1 4.17Å; I70-I113 HydrophobicContact CD1-CG1 4.33Å; I70-I113 HydrophobicContact CG1-CG1 4.38Å; I70-I113 VanDerWaalsContact O-CA 3.31Å; I70-I113 WeakPolarHBondContact O-CA 3.49Å; I72-I113 HydrophobicContact CD1-CG2 4.22Å; L102-I113 HydrophobicContact CD2-CD1 4.29Å; L102-I113 WeakPolarHBondContact O-CD1 3.48Å; A105-I113 HydrophobicContact CB-CD1 3.96Å; I111-I113 HydrophobicContact CG2-CG1 4.27Å; I111-I113 PolarHBondContact O-N 2.86Å; I113-L139 HydrophobicContact CB-CB 3.61Å; I113-L139 HydrophobicContact CG2-CB 3.56Å; I113-L139 HydrophobicContact CG2-CD2 4.13Å; I113-L139 WeakPolarHBondContact O-CA 3.34Å; I113-L139 WeakPolarHBondContact O-CB 3.48Å; I113-E140 PolarHBondContact O-N 2.86Å
114	R	98.6	Very high	94.8	Very high	76 Å²	76	65.8 Å²	65.8	29%	0.287	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.4	173.5	-74.5	-173.1	177.6	151.3	10.4	110.7	I70 Y71 I72 E140 F203 W207	I70-R114 PolarHBondContact O-N 2.63Å; Y71-R114 CarbonylContact C-O 3.54Å; Y71-R114 WeakPolarHBondContact CA-O 3.42Å; Y71-R114 HydrophobicContact CD1-CB 3.89Å; Y71-R114 HydrophobicContact CE1-CB 4.19Å; Y71-R114 HydrophobicContact CE1-CG 4.45Å; I72-R114 PolarHBondContact N-O 2.9Å; R114-E140 CarbonylContact C-O 3.51Å; R114-E140 WeakPolarHBondContact CA-O 3.39Å; R114-E140 HydrophobicContact CG-CB 4.28Å; R114-E140 IonicContact CZ-OE2 2.82Å; R114-E140 IonicContact NE-OE2 3.73Å; R114-E140 PolarHBondContact NE-OE2 2.87Å; R114-E140 VanDerWaalsContact NE-OE2 3.13Å; R114-E140 IonicContact NH2-OE2 2.73Å; R114-F203 HydrophobicContact CB-CE1 4.27Å; R114-F203 HydrophobicContact CB-CZ 3.9Å; R114-W207 HydrophobicContact CB-CE3 4.22Å; R114-W207 HydrophobicContact CB-CH2 3.81Å; R114-W207 HydrophobicContact CB-CZ2 4.45Å; R114-W207 HydrophobicContact CB-CZ3 3.68Å; R114-W207 HydrophobicContact CG-CH2 3.7Å; R114-W207 HydrophobicContact CG-CZ2 4.02Å; R114-W207 HydrophobicContact CG-CZ3 4.12Å
115	M	98.6	Very high	94.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.1	-178	-175.4	166.6	66.3	0	0	112.6	I72 A74 E117 G130 L139 E140 R141 R142 L174	I72-M115 HydrophobicContact CB-CB 4.14Å; I72-M115 HydrophobicContact CB-CG 3.88Å; I72-M115 HydrophobicContact CB-SD 4.25Å; I72-M115 HydrophobicContact CG2-CG 4Å; I72-M115 HydrophobicContact CG2-SD 3.94Å; I72-M115 CarbonylContact O-C 3.55Å; I72-M115 VanDerWaalsContact O-CA 3.26Å; I72-M115 WeakPolarHBondContact O-CA 3.19Å; A74-M115 HydrophobicContact CB-SD 4.47Å; M115-E117 HydrophobicContact CE-CG 4.04Å; M115-E117 HydrophobicContact CG-CG 4.02Å; M115-E117 HydrophobicContact SD-CG 4.2Å; M115-G130 VanDerWaalsContact CE-CA 3.41Å; M115-L139 HydrophobicContact CB-CD1 4.22Å; M115-L139 HydrophobicContact CB-CD2 4.46Å; M115-L139 HydrophobicContact CE-CD1 4.07Å; M115-L139 HydrophobicContact CE-CD2 3.97Å; M115-E140 PolarHBondContact N-O 2.95Å; M115-R141 HydrophobicContact CB-CG 4.41Å; M115-R141 HydrophobicContact CE-CG 3.87Å; M115-R141 CarbonylContact O-C 3.23Å; M115-R141 WeakPolarHBondContact O-CA 3.29Å; M115-R142 PolarHBondContact O-N 2.95Å; M115-L174 HydrophobicContact SD-CD2 3.87Å
116	V	97.1	Very high	94.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.2	167.1	-45.5	0	0	0	0	110.1	I72 A73 A74 R142 M155 F203 Y206 W207	I72-V116 PolarHBondContact O-N 3.16Å; A73-V116 HydrophobicContact CB-CG2 4.11Å; A74-V116 PolarHBondContact N-O 2.99Å; V116-R142 WeakPolarHBondContact CA-O 3.42Å; V116-M155 HydrophobicContact CG2-CE 3.77Å; V116-M155 WeakPolarHBondContact O-CE 3.25Å; V116-F203 HydrophobicContact CG1-CE2 3.86Å; V116-F203 HydrophobicContact CG1-CZ 3.97Å; V116-F203 HydrophobicContact CG2-CE2 4.43Å; V116-Y206 HydrophobicContact CG2-CD2 4.25Å; V116-W207 HydrophobicContact CG1-CB 4.29Å; V116-W207 HydrophobicContact CG1-CD2 4.42Å; V116-W207 HydrophobicContact CG1-CE3 3.49Å; V116-W207 VanDerWaalsContact CG1-CE3 3.49Å; V116-W207 HydrophobicContact CG1-CZ3 4.19Å
117	E	97.1	Very high	94	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	163.6	178.1	-59.4	-178.8	114.4	0	0	112.7	A74 S77 M115 N127 R141 R142 L143 L144	A74-E117 VanDerWaalsContact O-CA 3.26Å; A74-E117 WeakPolarHBondContact O-CA 3.46Å; S77-E117 WeakPolarHBondContact CB-OE1 3.47Å; S77-E117 PolarHBondContact N-OE1 2.75Å; S77-E117 VanDerWaalsContact N-OE1 3.17Å; S77-E117 PolarHBondContact OG-OE1 3.32Å; M115-E117 HydrophobicContact CE-CG 4.04Å; M115-E117 HydrophobicContact CG-CG 4.02Å; M115-E117 HydrophobicContact SD-CG 4.2Å; E117-N127 PolarHBondContact OE1-OD1 3.49Å; E117-N127 WeakPolarHBondContact OE2-CB 3.25Å; E117-R141 VanDerWaalsContact OE2-CD 3.22Å; E117-R141 WeakPolarHBondContact OE2-CD 3.32Å; E117-R141 IonicContact OE2-CZ 3.86Å; E117-R141 IonicContact OE2-NE 2.9Å; E117-R141 IonicContact OE2-NH1 3.91Å; E117-R141 PolarHBondContact OE2-NH1 2.82Å; E117-R142 PolarHBondContact N-O 2.86Å; E117-L143 HydrophobicContact CB-CD2 3.97Å; E117-L143 CarbonylContact O-C 3.58Å; E117-L143 WeakPolarHBondContact O-CA 3.36Å; E117-L144 PolarHBondContact O-N 2.87Å
118	N	95.9	Very high	93.8	Very high	9 Å²	9	61.4 Å²	61.4	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.5	175.2	-174.8	52.1	0	0	0	112.4	Y75 R120 N127 A154 M155	Y75-N118 HydrophobicContact CD2-CB 4.01Å; Y75-N118 HydrophobicContact CE2-CB 4.31Å; Y75-N118 WeakPolarHBondContact O-CB 3.46Å; N118-R120 PolarHBondContact ND2-O 2.95Å; N118-N127 PolarHBondContact O-ND2 3.32Å; N118-N127 VanDerWaalsContact O-ND2 3.14Å; N118-A154 VanDerWaalsContact OD1-CA 3.24Å; N118-A154 WeakPolarHBondContact OD1-CA 3.37Å; N118-A154 WeakPolarHBondContact OD1-CB 3.33Å; N118-M155 HydrophobicContact CB-CB 3.97Å; N118-M155 PolarHBondContact OD1-N 3.35Å
119	Y	92.5	Very high	93.8	Very high	103 Å²	103	55 Å²	55	40%	0.404	28%	0.283	S	S	.	.	S	Bend	trans	-100	124.1	161.9	-173.2	-93	0	0	0	110.9	L143 L144 H145	Y119-L143 HydrophobicContact CD2-CB 4.21Å; Y119-L143 HydrophobicContact CD2-CD1 3.89Å; Y119-L144 WeakPolarHBondContact CB-O 3.28Å; Y119-L144 PolarHBondContact N-O 2.62Å; Y119-H145 HydrophobicContact CD1-CB 4.37Å; Y119-H145 AromaticContact CD1-CE1 3.22Å; Y119-H145 WeakPolarHBondContact CD1-CE1 3.05Å; Y119-H145 AromaticContact CD1-CG 3.6Å; Y119-H145 AromaticContact CD1-ND1 2.95Å; Y119-H145 WeakPolarHBondContact CD1-ND1 3.42Å; Y119-H145 AromaticContact CD1-NE2 3.95Å; Y119-H145 AromaticContact CD2-CE1 3.17Å; Y119-H145 WeakPolarHBondContact CD2-CE1 3.41Å; Y119-H145 AromaticContact CD2-ND1 3.82Å; Y119-H145 AromaticContact CD2-NE2 3.37Å; Y119-H145 WeakPolarHBondContact CD2-NE2 3.44Å; Y119-H145 AromaticContact CE1-CE1 3.32Å; Y119-H145 WeakPolarHBondContact CE1-CE1 3.34Å; Y119-H145 AromaticContact CE1-ND1 3.22Å; Y119-H145 WeakPolarHBondContact CE1-ND1 3.1Å; Y119-H145 AromaticContact CE2-CE1 3.28Å; Y119-H145 WeakPolarHBondContact CE2-CE1 3.42Å; Y119-H145 AromaticContact CE2-NE2 3.86Å; Y119-H145 AromaticContact CG-CD2 3.74Å; Y119-H145 AromaticContact CG-CE1 3.11Å; Y119-H145 AromaticContact CG-CG 3.63Å; Y119-H145 AromaticContact CG-ND1 3.25Å; Y119-H145 VanDerWaalsContact CG-ND1 3.25Å; Y119-H145 AromaticContact CG-NE2 3.4Å; Y119-H145 AromaticContact CZ-CE1 3.34Å; Y119-H145 AromaticContact CZ-ND1 3.76Å
120	R	85.9	Confident	93.9	Very high	202 Å²	202	49.1 Å²	49.1	76%	0.762	26%	0.257	S	S	*	.	S	Bend	cis	-93.6	162.2	-9	54.8	-175.6	172.6	-176.9	-1.6	110.3	N118 K122	N118-R120 PolarHBondContact ND2-O 2.95Å; R120-K122 PolarHBondContact O-N 2.8Å
121	G	86.9	Confident	94.1	Very high	28 Å²	28	47.1 Å²	47.1	29%	0.289	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-50	141.1	167.8	0	0	0	0	0	111
122	K	87.3	Confident	94	Very high	106 Å²	106	47.5 Å²	47.5	46%	0.461	25%	0.245	S	C	.	.	S	Bend	trans	-76.9	-39.3	-177	172.8	174.7	176.8	174.3	0	111.1	Y75 R120 D126	Y75-K122 WeakPolarHBondContact OH-CB 3.48Å; Y75-K122 WeakPolarHBondContact OH-CD 3.48Å; R120-K122 PolarHBondContact O-N 2.8Å; K122-D126 PolarHBondContact N-OD2 3.34Å
123	D	89.1	Confident	94	Very high	53 Å²	53	44 Å²	44	28%	0.283	22%	0.224	S	C	.	.	S	Bend	trans	-117.5	153.6	178.3	-63.9	-61.5	0	0	0	110.6	G125 D126 K457	D123-G125 PolarHBondContact O-N 3.33Å; D123-D126 PolarHBondContact N-OD2 3.36Å; D123-D126 VanDerWaalsContact O-CB 3.25Å; D123-D126 WeakPolarHBondContact O-CB 3.15Å; D123-D126 PolarHBondContact O-N 3.28Å; D123-D126 VanDerWaalsContact O-N 3.07Å; D123-K457 IonicContact OD1-NZ 2.78Å; D123-K457 PolarHBondContact OD1-NZ 3.02Å
124	P	87.1	Confident	94	Very high	118 Å²	118	46.3 Å²	46.3	77%	0.766	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	132	174.6	-25.1	34.6	0	0	0	111.7	H83 D126	H83-P124 PolarHBondContact CD2-O 2.88Å; P124-D126 VanDerWaalsContact C-N 3.28Å; P124-D126 PolarHBondContact O-N 2.87Å
125	G	89.3	Confident	93.9	Very high	28 Å²	28	46.4 Å²	46.4	29%	0.289	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-3.5	-178.5	0	0	0	0	0	115.1	H83 D123 N127 A128	H83-G125 PolarHBondContact CE1-O 3.35Å; H83-G125 PolarHBondContact ND1-O 3.06Å; D123-G125 PolarHBondContact O-N 3.33Å; G125-N127 PolarHBondContact O-N 2.86Å; G125-A128 WeakPolarHBondContact O-CB 3.32Å; G125-A128 PolarHBondContact O-N 3.03Å; G125-A128 VanDerWaalsContact O-N 3.13Å
126	D	93.1	Very high	93.9	Very high	16 Å²	16	52.6 Å²	52.6	9%	0.086	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	137.1	160.9	-78.1	-8.5	0	0	0	108.7	K76 K122 D123 P124 A128	K76-D126 HydrophobicContact CB-CB 4.28Å; K76-D126 HydrophobicContact CD-CB 4.32Å; K76-D126 VanDerWaalsContact CD-CG 3.44Å; K76-D126 WeakPolarHBondContact CD-OD1 3.36Å; K76-D126 IonicContact NZ-OD1 2.69Å; K76-D126 PolarHBondContact NZ-OD1 2.95Å; K76-D126 IonicContact NZ-OD2 2.75Å; K122-D126 PolarHBondContact N-OD2 3.34Å; D123-D126 PolarHBondContact N-OD2 3.36Å; D123-D126 VanDerWaalsContact O-CB 3.25Å; D123-D126 WeakPolarHBondContact O-CB 3.15Å; D123-D126 PolarHBondContact O-N 3.28Å; D123-D126 VanDerWaalsContact O-N 3.07Å; P124-D126 VanDerWaalsContact C-N 3.28Å; P124-D126 PolarHBondContact O-N 2.87Å; D126-A128 VanDerWaalsContact C-N 3.26Å; D126-A128 PolarHBondContact O-N 3.46Å
127	N	95.3	Very high	93.9	Very high	16 Å²	16	55.3 Å²	55.3	9%	0.086	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	1.2	-177.2	-52	-11	0	0	0	115.7	K76 S77 E117 N118 G125 D129 G130 F131	K76-N127 WeakPolarHBondContact CA-OD1 3.19Å; S77-N127 PolarHBondContact N-OD1 2.85Å; S77-N127 WeakPolarHBondContact O-CA 3.44Å; S77-N127 PolarHBondContact O-N 3.41Å; S77-N127 VanDerWaalsContact OG-CA 3.28Å; S77-N127 WeakPolarHBondContact OG-CA 3.34Å; S77-N127 PolarHBondContact OG-O 3.28Å; E117-N127 PolarHBondContact OE1-OD1 3.49Å; E117-N127 WeakPolarHBondContact OE2-CB 3.25Å; N118-N127 PolarHBondContact O-ND2 3.32Å; N118-N127 VanDerWaalsContact O-ND2 3.14Å; G125-N127 PolarHBondContact O-N 2.86Å; N127-D129 VanDerWaalsContact C-N 3.25Å; N127-D129 PolarHBondContact O-N 2.94Å; N127-G130 PolarHBondContact O-N 2.82Å; N127-F131 PolarHBondContact O-N 3.08Å
128	A	95.5	Very high	93.9	Very high	39 Å²	39	55.5 Å²	55.5	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-33.2	-178.1	0	0	0	0	0	113.2	G125 D126 S132	G125-A128 WeakPolarHBondContact O-CB 3.32Å; G125-A128 PolarHBondContact O-N 3.03Å; G125-A128 VanDerWaalsContact O-N 3.13Å; D126-A128 VanDerWaalsContact C-N 3.26Å; D126-A128 PolarHBondContact O-N 3.46Å; A128-S132 WeakPolarHBondContact O-CB 3.46Å; A128-S132 PolarHBondContact O-N 3.15Å
129	D	97.6	Very high	94	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.011	30%	0.301	C	S	.	.	H	α-helix	trans	-76.6	-35.1	179.7	-71	-31	0	0	0	112.1	S78 L79 R80 F99 N127 S132 L133	S78-D129 VanDerWaalsContact CA-OD2 3.31Å; S78-D129 WeakPolarHBondContact CA-OD2 3.28Å; L79-D129 WeakPolarHBondContact CA-OD2 3.41Å; L79-D129 PolarHBondContact N-OD2 3.5Å; R80-D129 IonicContact CZ-OD1 3.44Å; R80-D129 PolarHBondContact N-OD2 2.91Å; R80-D129 IonicContact NE-OD1 3.87Å; R80-D129 PolarHBondContact NE-OD1 3.36Å; R80-D129 IonicContact NH2-OD1 2.79Å; R80-D129 PolarHBondContact NH2-OD1 2.89Å; F99-D129 HydrophobicContact CD2-CB 4.06Å; F99-D129 HydrophobicContact CE2-CB 4.16Å; N127-D129 VanDerWaalsContact C-N 3.25Å; N127-D129 PolarHBondContact O-N 2.94Å; D129-S132 PolarHBondContact O-N 3.24Å; D129-L133 WeakPolarHBondContact O-CG 3.3Å; D129-L133 PolarHBondContact O-N 3.34Å
130	G	97.3	Very high	94.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-45.3	171.4	0	0	0	0	0	112.1	S77 M115 N127 S132 L133 E134 R141	S77-G130 VanDerWaalsContact OG-CA 3.3Å; S77-G130 WeakPolarHBondContact OG-CA 3.42Å; S77-G130 PolarHBondContact OG-N 3.19Å; M115-G130 VanDerWaalsContact CE-CA 3.41Å; N127-G130 PolarHBondContact O-N 2.82Å; G130-S132 VanDerWaalsContact C-N 3.32Å; G130-S132 PolarHBondContact O-N 3.31Å; G130-L133 PolarHBondContact O-N 3.01Å; G130-E134 WeakPolarHBondContact O-CB 3.38Å; G130-E134 PolarHBondContact O-N 2.72Å; G130-R141 VanDerWaalsContact C-CD 3.44Å; G130-R141 WeakPolarHBondContact O-CD 3.38Å
131	F	95.8	Very high	94.8	Very high	107 Å²	107	45 Å²	45	47%	0.469	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-43.3	171.6	179.4	-98.3	0	0	0	111.7	N127 L133 E134 S135	N127-F131 PolarHBondContact O-N 3.08Å; F131-L133 VanDerWaalsContact C-N 3.3Å; F131-L133 PolarHBondContact O-N 2.71Å; F131-E134 PolarHBondContact O-N 3.21Å; F131-S135 WeakPolarHBondContact O-CB 3.44Å; F131-S135 PolarHBondContact O-N 3.14Å; F131-S135 PolarHBondContact O-OG 3.36Å
132	S	97.5	Very high	95.2	Very high	14 Å²	14	46.3 Å²	46.3	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-29.3	178.5	-179.5	0	0	0	0	113.7	R80 A128 D129 G130 S135 R136	R80-S132 VanDerWaalsContact NH2-CB 3.3Å; R80-S132 PolarHBondContact NH2-OG 3.08Å; A128-S132 WeakPolarHBondContact O-CB 3.46Å; A128-S132 PolarHBondContact O-N 3.15Å; D129-S132 PolarHBondContact O-N 3.24Å; G130-S132 VanDerWaalsContact C-N 3.32Å; G130-S132 PolarHBondContact O-N 3.31Å; S132-S135 PolarHBondContact O-OG 2.83Å; S132-R136 VanDerWaalsContact O-CD 3.25Å; S132-R136 WeakPolarHBondContact O-CD 3.33Å; S132-R136 WeakPolarHBondContact O-CG 3.38Å
133	L	98.5	Very high	95.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-74.9	-46.3	174.5	-74.1	165.5	0	0	0	110.3	F99 L102 L103 D129 G130 F131 R136 G137 A138 L139	F99-L133 HydrophobicContact CD2-CD1 4.19Å; F99-L133 HydrophobicContact CD2-CD2 4.08Å; F99-L133 HydrophobicContact CD2-CG 3.99Å; F99-L133 HydrophobicContact CE1-CD2 4.32Å; F99-L133 HydrophobicContact CE2-CD1 4.23Å; F99-L133 HydrophobicContact CE2-CD2 3.79Å; F99-L133 HydrophobicContact CE2-CG 3.57Å; F99-L133 HydrophobicContact CG-CD2 4.48Å; F99-L133 HydrophobicContact CZ-CD2 3.89Å; F99-L133 HydrophobicContact CZ-CG 4.08Å; L102-L133 HydrophobicContact CB-CD1 4.23Å; L102-L133 HydrophobicContact CB-CD2 4.25Å; L102-L133 HydrophobicContact CD1-CD1 4.16Å; L103-L133 HydrophobicContact CB-CD2 3.92Å; D129-L133 WeakPolarHBondContact O-CG 3.3Å; D129-L133 PolarHBondContact O-N 3.34Å; G130-L133 PolarHBondContact O-N 3.01Å; F131-L133 VanDerWaalsContact C-N 3.3Å; F131-L133 PolarHBondContact O-N 2.71Å; L133-R136 PolarHBondContact O-N 3.37Å; L133-G137 PolarHBondContact O-N 3.09Å; L133-A138 HydrophobicContact CB-CB 4.2Å; L133-A138 HydrophobicContact CD2-CB 4.06Å; L133-A138 WeakPolarHBondContact O-CB 3.27Å; L133-A138 PolarHBondContact O-N 3.48Å; L133-L139 HydrophobicContact CB-CD2 3.57Å; L133-L139 HydrophobicContact CB-CG 3.79Å; L133-L139 HydrophobicContact CD1-CD2 3.7Å; L133-L139 HydrophobicContact CG-CD2 4.24Å
134	E	97.4	Very high	95.7	Very high	54 Å²	54	39.4 Å²	39.4	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-59	-47.4	176.3	177.3	175.6	-129.7	0	0	112.1	G130 F131 R136 G137 L139 R141	G130-E134 WeakPolarHBondContact O-CB 3.38Å; G130-E134 PolarHBondContact O-N 2.72Å; F131-E134 PolarHBondContact O-N 3.21Å; E134-R136 PolarHBondContact O-N 3.15Å; E134-G137 PolarHBondContact O-N 3Å; E134-L139 WeakPolarHBondContact CA-O 3.11Å; E134-L139 HydrophobicContact CB-CD1 4.1Å; E134-R141 HydrophobicContact CB-CB 4.38Å; E134-R141 HydrophobicContact CG-CB 4.43Å; E134-R141 WeakPolarHBondContact OE1-CB 3.19Å; E134-R141 PolarHBondContact OE1-N 3Å; E134-R141 IonicContact OE2-CZ 3.49Å; E134-R141 IonicContact OE2-NE 3.76Å; E134-R141 PolarHBondContact OE2-NE 3.41Å; E134-R141 IonicContact OE2-NH2 3.57Å; E134-R141 PolarHBondContact OE2-NH2 3.29Å
135	S	97.2	Very high	95.9	Very high	78 Å²	78	35.1 Å²	35.1	55%	0.545	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.3	-179.9	79.1	0	0	0	0	113.5	F131 S132	F131-S135 WeakPolarHBondContact O-CB 3.44Å; F131-S135 PolarHBondContact O-N 3.14Å; F131-S135 PolarHBondContact O-OG 3.36Å; S132-S135 PolarHBondContact O-OG 2.83Å
136	R	97.9	Very high	95.9	Very high	129 Å²	129	33.8 Å²	33.8	49%	0.487	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	6.2	176.5	-66.8	175.1	-173.5	-159.3	-3.6	112.4	L103 T107 S132 L133 E134 A138	L103-R136 HydrophobicContact CD1-CB 3.92Å; T107-R136 WeakPolarHBondContact CG2-O 3.39Å; S132-R136 VanDerWaalsContact O-CD 3.25Å; S132-R136 WeakPolarHBondContact O-CD 3.33Å; S132-R136 WeakPolarHBondContact O-CG 3.38Å; L133-R136 PolarHBondContact O-N 3.37Å; E134-R136 PolarHBondContact O-N 3.15Å; R136-A138 VanDerWaalsContact C-N 3.27Å; R136-A138 PolarHBondContact O-N 2.85Å
137	G	97.1	Very high	95.7	Very high	58 Å²	58	35.8 Å²	35.8	60%	0.598	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	12.4	-179.2	0	0	0	0	0	114.5	L133 E134	L133-G137 PolarHBondContact O-N 3.09Å; E134-G137 PolarHBondContact O-N 3Å
138	A	98.4	Very high	95.1	Very high	3 Å²	3	40 Å²	40	3%	0.025	22%	0.219	C	C	.	.	S	Bend	trans	-78.7	-26.6	-176.1	0	0	0	0	0	113.6	L103 G106 T107 L133 R136	L103-A138 HydrophobicContact CD1-CB 3.87Å; G106-A138 VanDerWaalsContact CA-O 3.3Å; G106-A138 WeakPolarHBondContact CA-O 3.4Å; T107-A138 HydrophobicContact CG2-CB 3.97Å; L133-A138 HydrophobicContact CB-CB 4.2Å; L133-A138 HydrophobicContact CD2-CB 4.06Å; L133-A138 WeakPolarHBondContact O-CB 3.27Å; L133-A138 PolarHBondContact O-N 3.48Å; R136-A138 VanDerWaalsContact C-N 3.27Å; R136-A138 PolarHBondContact O-N 2.85Å
139	L	98.2	Very high	94.5	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.068	22%	0.218	C	C	.	.			trans	-153.9	157.6	-179.4	63.2	82	0	0	0	112.2	I113 M115 L133 E134 R141	I113-L139 HydrophobicContact CB-CB 3.61Å; I113-L139 HydrophobicContact CG2-CB 3.56Å; I113-L139 HydrophobicContact CG2-CD2 4.13Å; I113-L139 WeakPolarHBondContact O-CA 3.34Å; I113-L139 WeakPolarHBondContact O-CB 3.48Å; M115-L139 HydrophobicContact CB-CD1 4.22Å; M115-L139 HydrophobicContact CB-CD2 4.46Å; M115-L139 HydrophobicContact CE-CD1 4.07Å; M115-L139 HydrophobicContact CE-CD2 3.97Å; L133-L139 HydrophobicContact CB-CD2 3.57Å; L133-L139 HydrophobicContact CB-CG 3.79Å; L133-L139 HydrophobicContact CD1-CD2 3.7Å; L133-L139 HydrophobicContact CG-CD2 4.24Å; E134-L139 WeakPolarHBondContact CA-O 3.11Å; E134-L139 HydrophobicContact CB-CD1 4.1Å; L139-R141 HydrophobicContact CD1-CB 3.66Å; L139-R141 HydrophobicContact CD1-CG 4.09Å
140	E	97.7	Very high	93.9	Very high	77 Å²	77	43.5 Å²	43.5	36%	0.36	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.1	165.5	-171	-167.9	168.7	0	0	109.1	I113 R114 M115 R142 W207	I113-E140 PolarHBondContact O-N 2.86Å; R114-E140 CarbonylContact C-O 3.51Å; R114-E140 WeakPolarHBondContact CA-O 3.39Å; R114-E140 HydrophobicContact CG-CB 4.28Å; R114-E140 IonicContact CZ-OE2 2.82Å; R114-E140 IonicContact NE-OE2 3.73Å; R114-E140 PolarHBondContact NE-OE2 2.87Å; R114-E140 VanDerWaalsContact NE-OE2 3.13Å; R114-E140 IonicContact NH2-OE2 2.73Å; M115-E140 PolarHBondContact N-O 2.95Å; E140-R142 IonicContact OE1-NE 3.23Å; E140-R142 IonicContact OE1-NH2 3.27Å; E140-W207 HydrophobicContact CB-CH2 4.12Å; E140-W207 HydrophobicContact CG-CH2 3.76Å; E140-W207 HydrophobicContact CG-CZ2 4.13Å; E140-W207 VanDerWaalsContact OE1-CZ2 3.25Å; E140-W207 WeakPolarHBondContact OE1-CZ2 3.15Å; E140-W207 WeakPolarHBondContact OE2-CZ2 3.21Å
141	R	96.1	Very high	93.4	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.019	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.4	-174.3	-156.3	169.1	58.6	74.7	18	111.9	M115 E117 G130 E134 L139 L143	M115-R141 HydrophobicContact CB-CG 4.41Å; M115-R141 HydrophobicContact CE-CG 3.87Å; M115-R141 CarbonylContact O-C 3.23Å; M115-R141 WeakPolarHBondContact O-CA 3.29Å; E117-R141 VanDerWaalsContact OE2-CD 3.22Å; E117-R141 WeakPolarHBondContact OE2-CD 3.32Å; E117-R141 IonicContact OE2-CZ 3.86Å; E117-R141 IonicContact OE2-NE 2.9Å; E117-R141 IonicContact OE2-NH1 3.91Å; E117-R141 PolarHBondContact OE2-NH1 2.82Å; G130-R141 VanDerWaalsContact C-CD 3.44Å; G130-R141 WeakPolarHBondContact O-CD 3.38Å; E134-R141 HydrophobicContact CB-CB 4.38Å; E134-R141 HydrophobicContact CG-CB 4.43Å; E134-R141 WeakPolarHBondContact OE1-CB 3.19Å; E134-R141 PolarHBondContact OE1-N 3Å; E134-R141 IonicContact OE2-CZ 3.49Å; E134-R141 IonicContact OE2-NE 3.76Å; E134-R141 PolarHBondContact OE2-NE 3.41Å; E134-R141 IonicContact OE2-NH2 3.57Å; E134-R141 PolarHBondContact OE2-NH2 3.29Å; L139-R141 HydrophobicContact CD1-CB 3.66Å; L139-R141 HydrophobicContact CD1-CG 4.09Å; R141-L143 VanDerWaalsContact NH1-CD2 3.34Å
142	R	95.6	Very high	93	Very high	55 Å²	55	43.8 Å²	43.8	21%	0.208	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.3	171	-62	-173.7	-177.8	-169.8	-0.7	111.3	M115 V116 E117 E140 W207 A210 T211	M115-R142 PolarHBondContact O-N 2.95Å; V116-R142 WeakPolarHBondContact CA-O 3.42Å; E117-R142 PolarHBondContact N-O 2.86Å; E140-R142 IonicContact OE1-NE 3.23Å; E140-R142 IonicContact OE1-NH2 3.27Å; R142-W207 HydrophobicContact CB-CE3 4.47Å; R142-W207 HydrophobicContact CB-CZ3 4.24Å; R142-W207 HydrophobicContact CG-CE3 4.26Å; R142-W207 HydrophobicContact CG-CH2 3.78Å; R142-W207 HydrophobicContact CG-CZ2 4.09Å; R142-W207 HydrophobicContact CG-CZ3 3.86Å; R142-W207 VanDerWaalsContact CZ-CE2 3.44Å; R142-W207 VanDerWaalsContact NE-CE2 3.27Å; R142-W207 PolarHBondContact NH1-O 3.05Å; R142-W207 VanDerWaalsContact NH1-O 3.1Å; R142-A210 HydrophobicContact CB-CB 3.52Å; R142-T211 WeakPolarHBondContact CA-O 3.44Å
143	L	94.5	Very high	92.7	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.068	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.7	178.8	-63.9	179.8	0	0	0	108.8	E117 Y119 R141 H145 A210 T211 Q213	E117-L143 HydrophobicContact CB-CD2 3.97Å; E117-L143 CarbonylContact O-C 3.58Å; E117-L143 WeakPolarHBondContact O-CA 3.36Å; Y119-L143 HydrophobicContact CD2-CB 4.21Å; Y119-L143 HydrophobicContact CD2-CD1 3.89Å; R141-L143 VanDerWaalsContact NH1-CD2 3.34Å; L143-H145 PolarHBondContact O-CD2 3.37Å; L143-H145 VanDerWaalsContact O-CD2 3.27Å; L143-A210 CarbonylContact O-C 3.14Å; L143-A210 VanDerWaalsContact O-CA 3.26Å; L143-A210 WeakPolarHBondContact O-CA 3.46Å; L143-A210 WeakPolarHBondContact O-CB 3.43Å; L143-T211 PolarHBondContact N-O 3.31Å; L143-T211 PolarHBondContact O-N 2.8Å; L143-Q213 HydrophobicContact CD1-CB 4.17Å; L143-Q213 HydrophobicContact CD1-CG 4.21Å
144	L	92.8	Very high	92.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115	179.1	-175.1	64.6	0	0	0	110.3	E117 Y119 L146 M155 Y206 L209 A210 T401	E117-L144 PolarHBondContact O-N 2.87Å; Y119-L144 WeakPolarHBondContact CB-O 3.28Å; Y119-L144 PolarHBondContact N-O 2.62Å; L144-L146 HydrophobicContact CD1-CD2 4.31Å; L144-L146 HydrophobicContact CD2-CD2 3.66Å; L144-L146 HydrophobicContact CD2-CG 4.09Å; L144-L146 HydrophobicContact CG-CD2 3.83Å; L144-L146 HydrophobicContact CG-CG 4.17Å; L144-L146 PolarHBondContact O-N 3.14Å; L144-M155 HydrophobicContact CB-CB 4.11Å; L144-M155 HydrophobicContact CB-CG 4.11Å; L144-M155 HydrophobicContact CD2-CB 3.87Å; L144-M155 HydrophobicContact CD2-CG 3.47Å; L144-M155 VanDerWaalsContact CD2-CG 3.47Å; L144-M155 HydrophobicContact CG-CB 4.42Å; L144-M155 HydrophobicContact CG-CG 4.37Å; L144-Y206 HydrophobicContact CD2-CD1 4.4Å; L144-Y206 HydrophobicContact CD2-CG 4.44Å; L144-L209 HydrophobicContact CD1-CB 3.64Å; L144-A210 HydrophobicContact CB-CB 4.21Å; L144-A210 HydrophobicContact CD1-CB 4.2Å; L144-T401 HydrophobicContact CD2-CG2 4.03Å
145	H	91.4	Very high	92.4	Very high	27 Å²	27	42.4 Å²	42.4	13%	0.125	25%	0.248	C	C	.	.			trans	-96	73.1	-177.4	-64.3	-121.6	0	0	0	111.3	Y119 L143 T147 N148 T211	Y119-H145 HydrophobicContact CD1-CB 4.37Å; Y119-H145 AromaticContact CD1-CE1 3.22Å; Y119-H145 WeakPolarHBondContact CD1-CE1 3.05Å; Y119-H145 AromaticContact CD1-CG 3.6Å; Y119-H145 AromaticContact CD1-ND1 2.95Å; Y119-H145 WeakPolarHBondContact CD1-ND1 3.42Å; Y119-H145 AromaticContact CD1-NE2 3.95Å; Y119-H145 AromaticContact CD2-CE1 3.17Å; Y119-H145 WeakPolarHBondContact CD2-CE1 3.41Å; Y119-H145 AromaticContact CD2-ND1 3.82Å; Y119-H145 AromaticContact CD2-NE2 3.37Å; Y119-H145 WeakPolarHBondContact CD2-NE2 3.44Å; Y119-H145 AromaticContact CE1-CE1 3.32Å; Y119-H145 WeakPolarHBondContact CE1-CE1 3.34Å; Y119-H145 AromaticContact CE1-ND1 3.22Å; Y119-H145 WeakPolarHBondContact CE1-ND1 3.1Å; Y119-H145 AromaticContact CE2-CE1 3.28Å; Y119-H145 WeakPolarHBondContact CE2-CE1 3.42Å; Y119-H145 AromaticContact CE2-NE2 3.86Å; Y119-H145 AromaticContact CG-CD2 3.74Å; Y119-H145 AromaticContact CG-CE1 3.11Å; Y119-H145 AromaticContact CG-CG 3.63Å; Y119-H145 AromaticContact CG-ND1 3.25Å; Y119-H145 VanDerWaalsContact CG-ND1 3.25Å; Y119-H145 AromaticContact CG-NE2 3.4Å; Y119-H145 AromaticContact CZ-CE1 3.34Å; Y119-H145 AromaticContact CZ-ND1 3.76Å; L143-H145 PolarHBondContact O-CD2 3.37Å; L143-H145 VanDerWaalsContact O-CD2 3.27Å; H145-T147 PolarHBondContact O-N 3.07Å; H145-N148 HydrophobicContact CB-CB 4.16Å; H145-N148 WeakPolarHBondContact CB-ND2 3.48Å; H145-N148 WeakPolarHBondContact O-CB 3.38Å; H145-N148 PolarHBondContact O-N 3.45Å; H145-T211 PolarHBondContact CD2-OG1 3.35Å; H145-T211 PolarHBondContact NE2-OG1 3.06Å
146	L	89.8	Confident	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-29.9	-179.7	-68.7	-168.8	0	0	0	113.4	L144 N148 E149 Y150 A154 L258 T399 T401	L144-L146 HydrophobicContact CD1-CD2 4.31Å; L144-L146 HydrophobicContact CD2-CD2 3.66Å; L144-L146 HydrophobicContact CD2-CG 4.09Å; L144-L146 HydrophobicContact CG-CD2 3.83Å; L144-L146 HydrophobicContact CG-CG 4.17Å; L144-L146 PolarHBondContact O-N 3.14Å; L146-N148 PolarHBondContact O-N 3.08Å; L146-E149 PolarHBondContact O-N 2.88Å; L146-Y150 HydrophobicContact CB-CD2 4.19Å; L146-Y150 HydrophobicContact CD2-CD2 4.26Å; L146-Y150 HydrophobicContact CD2-CE2 4.01Å; L146-Y150 WeakPolarHBondContact O-CD2 3.44Å; L146-Y150 PolarHBondContact O-N 3.42Å; L146-A154 WeakPolarHBondContact CD1-O 3.45Å; L146-L258 HydrophobicContact CD2-CD1 4.23Å; L146-T399 WeakPolarHBondContact CD1-O 3.34Å; L146-T401 HydrophobicContact CD1-CG2 3.52Å; L146-T401 HydrophobicContact CD2-CG2 3.97Å; L146-T401 HydrophobicContact CG-CG2 4.27Å
147	T	87.5	Confident	92.4	Very high	58 Å²	58	32.9 Å²	32.9	36%	0.356	20%	0.2	S	C	.	.	H	α-helix	trans	-56.2	-31.1	172.5	47	0	0	0	0	113	H145 E149 G151	H145-T147 PolarHBondContact O-N 3.07Å; T147-E149 VanDerWaalsContact C-N 3.34Å; T147-G151 CarbonylContact O-C 3.44Å; T147-G151 WeakPolarHBondContact O-CA 3.2Å; T147-G151 PolarHBondContact O-N 3.31Å
148	N	84.2	Confident	92.5	Very high	106 Å²	106	30.3 Å²	30.3	57%	0.567	17%	0.173	S	C	*	.	H	α-helix	trans	-75.4	-23.9	176.3	-67.9	-9.5	0	0	0	112.9	H145 L146	H145-N148 HydrophobicContact CB-CB 4.16Å; H145-N148 WeakPolarHBondContact CB-ND2 3.48Å; H145-N148 WeakPolarHBondContact O-CB 3.38Å; H145-N148 PolarHBondContact O-N 3.45Å; L146-N148 PolarHBondContact O-N 3.08Å
149	E	81.7	Confident	92.5	Very high	64 Å²	64	30.3 Å²	30.3	30%	0.299	17%	0.172	S	C	.	.	H	α-helix	trans	-98	-30.7	-178.1	-59	-66.1	140.6	0	0	112	L146 T147 R218 R225	L146-E149 PolarHBondContact O-N 2.88Å; T147-E149 VanDerWaalsContact C-N 3.34Å; E149-R218 IonicContact OE1-CZ 3.96Å; E149-R218 IonicContact OE1-NE 3.43Å; E149-R218 IonicContact OE1-NH2 2.75Å; E149-R218 PolarHBondContact OE1-NH2 3.45Å; E149-R218 IonicContact OE2-NH2 3.33Å; E149-R225 IonicContact OE1-CZ 3.84Å; E149-R225 IonicContact OE1-NH1 3.14Å; E149-R225 PolarHBondContact OE1-NH1 3.33Å; E149-R225 IonicContact OE1-NH2 2.72Å; E149-R225 PolarHBondContact OE1-NH2 2.87Å; E149-R225 IonicContact OE2-CZ 2.92Å; E149-R225 IonicContact OE2-NH1 3.12Å; E149-R225 PolarHBondContact OE2-NH1 2.94Å; E149-R225 IonicContact OE2-NH2 3.84Å
150	Y	85.9	Confident	92.5	Very high	50 Å²	50	29.9 Å²	29.9	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-121.2	-5.5	-175	-61.9	-77.2	0	0	0	114.8	L146 E152 P255 N257 L258	L146-Y150 HydrophobicContact CB-CD2 4.19Å; L146-Y150 HydrophobicContact CD2-CD2 4.26Å; L146-Y150 HydrophobicContact CD2-CE2 4.01Å; L146-Y150 WeakPolarHBondContact O-CD2 3.44Å; L146-Y150 PolarHBondContact O-N 3.42Å; Y150-E152 WeakPolarHBondContact CB-O 3.49Å; Y150-E152 PolarHBondContact O-N 3.02Å; Y150-P255 HydrophobicContact CE1-CB 4.48Å; Y150-P255 HydrophobicContact CE1-CG 3.88Å; Y150-P255 HydrophobicContact CE2-CG 3.93Å; Y150-P255 VanDerWaalsContact CZ-CG 3.47Å; Y150-P255 WeakPolarHBondContact OH-CG 3.3Å; Y150-N257 WeakPolarHBondContact CE1-ND2 3.35Å; Y150-N257 WeakPolarHBondContact CE1-OD1 3.22Å; Y150-N257 PolarHBondContact OH-ND2 3.06Å; Y150-N257 PolarHBondContact OH-OD1 3.46Å; Y150-L258 HydrophobicContact CE2-CD2 4.3Å; Y150-L258 HydrophobicContact CE2-CG 4.39Å; Y150-L258 WeakPolarHBondContact OH-CD2 3.46Å; Y150-L258 WeakPolarHBondContact OH-CG 3.36Å
151	G	85.7	Confident	92.6	Very high	66 Å²	66	26.2 Å²	26.2	68%	0.68	15%	0.153	S	C	*	.	S	Bend	trans	80.1	-25.2	-169.5	0	0	0	0	0	113.9	T147	T147-G151 CarbonylContact O-C 3.44Å; T147-G151 WeakPolarHBondContact O-CA 3.2Å; T147-G151 PolarHBondContact O-N 3.31Å
152	E	88.5	Confident	92.7	Very high	46 Å²	46	26 Å²	26	22%	0.215	15%	0.152	C	C	.	.	S	Bend	trans	-149.9	-176.4	179.2	62.7	-174.7	-158	0	0	111.5	Y150 Q295 T399	Y150-E152 WeakPolarHBondContact CB-O 3.49Å; Y150-E152 PolarHBondContact O-N 3.02Å; E152-Q295 WeakPolarHBondContact OE2-CB 3.41Å; E152-T399 HydrophobicContact CG-CG2 3.8Å
153	G	91.4	Very high	92.8	Very high	22 Å²	22	24.2 Å²	24.2	23%	0.227	15%	0.147	C	C	.	.			trans	97.4	171.2	176.2	0	0	0	0	0	115.3	T400	G153-T400 WeakPolarHBondContact CA-OG1 3.36Å
154	A	94.4	Very high	92.9	Very high	19 Å²	19	25.2 Å²	25.2	16%	0.157	15%	0.152	C	C	.	.			trans	-139.5	152.7	-175.7	0	0	0	0	0	112.8	Y75 N118 L146 H156 T400 T401	Y75-A154 HydrophobicContact CE2-CB 4.11Å; N118-A154 VanDerWaalsContact OD1-CA 3.24Å; N118-A154 WeakPolarHBondContact OD1-CA 3.37Å; N118-A154 WeakPolarHBondContact OD1-CB 3.33Å; L146-A154 WeakPolarHBondContact CD1-O 3.45Å; A154-H156 PolarHBondContact O-N 2.73Å; A154-H156 VanDerWaalsContact O-N 3.09Å; A154-T400 HydrophobicContact CB-CG2 4.4Å; A154-T400 PolarHBondContact N-OG1 3.43Å; A154-T400 VanDerWaalsContact N-OG1 3.15Å; A154-T400 CarbonylContact O-C 3.59Å; A154-T400 VanDerWaalsContact O-CA 3.3Å; A154-T400 WeakPolarHBondContact O-CA 3.42Å; A154-T400 WeakPolarHBondContact O-CG2 3.21Å; A154-T401 PolarHBondContact O-N 3.48Å
155	M	95	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-72.4	98.8	169.5	-164.5	-61.8	-100.5	0	0	109.3	A73 A74 Y75 V116 N118 L144 S157 T401	A73-M155 HydrophobicContact CB-CE 3.93Å; A74-M155 WeakPolarHBondContact O-CE 3.41Å; Y75-M155 VanDerWaalsContact CA-O 3.3Å; Y75-M155 WeakPolarHBondContact CA-O 3.47Å; Y75-M155 WeakPolarHBondContact CD2-O 3.27Å; V116-M155 HydrophobicContact CG2-CE 3.77Å; V116-M155 WeakPolarHBondContact O-CE 3.25Å; N118-M155 HydrophobicContact CB-CB 3.97Å; N118-M155 PolarHBondContact OD1-N 3.35Å; L144-M155 HydrophobicContact CB-CB 4.11Å; L144-M155 HydrophobicContact CB-CG 4.11Å; L144-M155 HydrophobicContact CD2-CB 3.87Å; L144-M155 HydrophobicContact CD2-CG 3.47Å; L144-M155 VanDerWaalsContact CD2-CG 3.47Å; L144-M155 HydrophobicContact CG-CB 4.42Å; L144-M155 HydrophobicContact CG-CG 4.37Å; M155-S157 PolarHBondContact SD-N 3.37Å; M155-T401 VanDerWaalsContact CA-OG1 3.28Å; M155-T401 WeakPolarHBondContact CA-OG1 3.2Å
156	H	96.5	Very high	93.5	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.032	17%	0.17	C	C	.	.			trans	-113.4	17.3	-174.7	-160.9	-107	0	0	0	113.5	Y75 A154 K158 T389 Y396 T400 T401	Y75-H156 AromaticContact CD2-CD2 3.74Å; Y75-H156 AromaticContact CG-CD2 3.76Å; A154-H156 PolarHBondContact O-N 2.73Å; A154-H156 VanDerWaalsContact O-N 3.09Å; H156-K158 PolarHBondContact CD2-NZ 3.2Å; H156-K158 PolarHBondContact CE1-NZ 2.89Å; H156-K158 VanDerWaalsContact CG-NZ 3.27Å; H156-K158 PolarHBondContact ND1-NZ 3.39Å; H156-K158 PolarHBondContact NE2-NZ 3.02Å; H156-K158 VanDerWaalsContact NE2-NZ 3.19Å; H156-K158 PolarHBondContact O-NZ 3.46Å; H156-T389 PolarHBondContact CE1-O 2.96Å; H156-T389 PolarHBondContact ND1-O 3.13Å; H156-T389 WeakPolarHBondContact O-CB 3.27Å; H156-T389 PolarHBondContact O-OG1 3.45Å; H156-T389 VanDerWaalsContact O-OG1 3.06Å; H156-Y396 HydrophobicContact CB-CD1 4.44Å; H156-Y396 HydrophobicContact CB-CE1 4.22Å; H156-Y396 AromaticContact CD2-CE1 3.96Å; H156-Y396 AromaticContact CE1-CE1 3.44Å; H156-Y396 VanDerWaalsContact CE1-CE1 3.44Å; H156-Y396 WeakPolarHBondContact CE1-CE1 3.38Å; H156-Y396 AromaticContact CG-CE1 3.64Å; H156-Y396 AromaticContact ND1-CD1 3.7Å; H156-Y396 AromaticContact ND1-CE1 3.32Å; H156-Y396 VanDerWaalsContact ND1-CE1 3.32Å; H156-Y396 WeakPolarHBondContact ND1-CE1 3.38Å; H156-Y396 AromaticContact NE2-CE1 3.88Å; H156-T400 HydrophobicContact CB-CG2 3.46Å; H156-T400 VanDerWaalsContact CB-CG2 3.46Å; H156-T401 CarbonylContact C-O 3.58Å; H156-T401 WeakPolarHBondContact CA-O 3.3Å; H156-T401 WeakPolarHBondContact CB-O 3.25Å; H156-T401 PolarHBondContact N-O 2.82Å; H156-T401 VanDerWaalsContact N-O 3.12Å; H156-T401 PolarHBondContact N-OG1 3.45Å
157	S	98	Very high	93.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.			trans	-76.4	146.7	169.1	-63.5	0	0	0	0	111.8	Y75 M155 Y206 T401	Y75-S157 PolarHBondContact N-O 3.42Å; M155-S157 PolarHBondContact SD-N 3.37Å; S157-Y206 WeakPolarHBondContact OG-CE2 3.44Å; S157-Y206 PolarHBondContact OG-OH 2.98Å; S157-T401 PolarHBondContact N-O 3.14Å; S157-T401 PolarHBondContact N-OG1 3.27Å; S157-T401 PolarHBondContact OG-OG1 3.3Å
158	K	98.6	Very high	94.5	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.017	15%	0.153	C	C	.	.			trans	-146	97.9	-171	-65	169.8	-161.6	75.9	0	108.9	A73 H156 G170 S171 A172 N173 T389	A73-K158 VanDerWaalsContact O-CA 3.24Å; A73-K158 WeakPolarHBondContact O-CA 3.32Å; H156-K158 PolarHBondContact CD2-NZ 3.2Å; H156-K158 PolarHBondContact CE1-NZ 2.89Å; H156-K158 VanDerWaalsContact CG-NZ 3.27Å; H156-K158 PolarHBondContact ND1-NZ 3.39Å; H156-K158 PolarHBondContact NE2-NZ 3.02Å; H156-K158 VanDerWaalsContact NE2-NZ 3.19Å; H156-K158 PolarHBondContact O-NZ 3.46Å; K158-G170 WeakPolarHBondContact CB-O 3.3Å; K158-G170 PolarHBondContact O-N 2.78Å; K158-S171 WeakPolarHBondContact CD-O 3.36Å; K158-A172 WeakPolarHBondContact CD-O 3.47Å; K158-N173 WeakPolarHBondContact CE-OD1 3.48Å; K158-T389 HydrophobicContact CB-CG2 3.98Å; K158-T389 PolarHBondContact NZ-O 3.07Å
159	F	98.8	Very high	95.2	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.013	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	158.4	177.7	58.6	-103.5	0	0	0	111.4	A73 I161 Y168 L169 L199 I202 F203 Y206 I403	A73-F159 HydrophobicContact CB-CD1 3.83Å; A73-F159 HydrophobicContact CB-CD2 4.03Å; A73-F159 HydrophobicContact CB-CE1 3.5Å; A73-F159 HydrophobicContact CB-CE2 3.69Å; A73-F159 HydrophobicContact CB-CG 4.1Å; A73-F159 HydrophobicContact CB-CZ 3.43Å; A73-F159 VanDerWaalsContact CB-CZ 3.43Å; A73-F159 PolarHBondContact N-O 3.2Å; A73-F159 PolarHBondContact O-N 3.26Å; F159-I161 HydrophobicContact CD2-CD1 4.15Å; F159-I161 HydrophobicContact CD2-CG1 3.87Å; F159-I161 HydrophobicContact CE2-CD1 3.89Å; F159-I161 HydrophobicContact CE2-CG1 4.11Å; F159-Y168 CarbonylContact C-O 3.59Å; F159-Y168 WeakPolarHBondContact CA-O 3.19Å; F159-Y168 WeakPolarHBondContact CB-O 3.2Å; F159-L169 HydrophobicContact CB-CB 4.36Å; F159-L199 HydrophobicContact CB-CD2 4.16Å; F159-L199 HydrophobicContact CD1-CD1 3.89Å; F159-L199 HydrophobicContact CD2-CD1 4.15Å; F159-L199 HydrophobicContact CD2-CD2 4.12Å; F159-L199 HydrophobicContact CD2-CG 4.08Å; F159-L199 HydrophobicContact CE1-CD1 3.95Å; F159-L199 HydrophobicContact CE2-CD1 4.24Å; F159-L199 HydrophobicContact CE2-CG 4.25Å; F159-L199 HydrophobicContact CG-CD1 3.98Å; F159-L199 HydrophobicContact CG-CD2 4.16Å; F159-L199 HydrophobicContact CG-CG 4.29Å; F159-L199 HydrophobicContact CZ-CD1 4.12Å; F159-I202 HydrophobicContact CE1-CG2 4.42Å; F159-F203 HydrophobicContact CE2-CB 3.89Å; F159-F203 AromaticContact CE2-CD2 3.98Å; F159-F203 HydrophobicContact CE2-CD2 3.98Å; F159-F203 HydrophobicContact CE2-CG 4.41Å; F159-F203 HydrophobicContact CZ-CB 3.97Å; F159-F203 HydrophobicContact CZ-CD2 4.33Å; F159-Y206 AromaticContact CE1-CE2 3.93Å; F159-Y206 HydrophobicContact CE1-CE2 3.93Å; F159-Y206 HydrophobicContact CZ-CD2 4.37Å; F159-Y206 HydrophobicContact CZ-CE2 4.17Å; F159-I403 HydrophobicContact CD1-CD1 4.42Å; F159-I403 HydrophobicContact CD1-CG2 4.11Å; F159-I403 HydrophobicContact CE1-CD1 4.45Å
160	I	98.9	Very high	96	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.8	175.4	-57.8	173	0	0	0	106.6	W59 L62 I70 Y71 I72 V162 F167 Y168	W59-I160 HydrophobicContact CD2-CD1 3.96Å; W59-I160 HydrophobicContact CG-CD1 4Å; L62-I160 HydrophobicContact CD2-CB 3.72Å; L62-I160 HydrophobicContact CD2-CG2 3.66Å; L62-I160 HydrophobicContact CG-CG2 4.33Å; I70-I160 HydrophobicContact CG2-CG2 3.77Å; Y71-I160 CarbonylContact O-C 3.58Å; Y71-I160 WeakPolarHBondContact O-CA 3.17Å; I72-I160 HydrophobicContact CG1-CG1 4.4Å; I72-I160 HydrophobicContact CG1-CG2 4.36Å; I72-I160 HydrophobicContact CG2-CG1 4.39Å; I160-V162 HydrophobicContact CG2-CG2 4.35Å; I160-F167 CarbonylContact O-C 3.49Å; I160-F167 WeakPolarHBondContact O-CA 3.4Å; I160-F167 WeakPolarHBondContact O-CB 3.15Å; I160-Y168 PolarHBondContact N-O 2.63Å; I160-Y168 PolarHBondContact O-N 3.33Å
161	I	98.9	Very high	96.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.7	176.4	-45.9	172.1	0	0	0	108	I70 Y71 F159 H166 F167 A196 L199 R200 F203	I70-I161 CarbonylContact C-O 3.44Å; I70-I161 VanDerWaalsContact CA-O 3.31Å; I70-I161 WeakPolarHBondContact CA-O 3.3Å; Y71-I161 HydrophobicContact CD2-CB 4.36Å; Y71-I161 PolarHBondContact N-O 3.45Å; Y71-I161 PolarHBondContact O-N 2.84Å; F159-I161 HydrophobicContact CD2-CD1 4.15Å; F159-I161 HydrophobicContact CD2-CG1 3.87Å; F159-I161 HydrophobicContact CE2-CD1 3.89Å; F159-I161 HydrophobicContact CE2-CG1 4.11Å; I161-H166 CarbonylContact C-O 3.6Å; I161-H166 WeakPolarHBondContact CA-O 3.42Å; I161-F167 HydrophobicContact CG1-CB 4.43Å; I161-A196 HydrophobicContact CG2-CB 4.48Å; I161-L199 HydrophobicContact CD1-CB 4.1Å; I161-L199 HydrophobicContact CD1-CD2 4.26Å; I161-L199 HydrophobicContact CD1-CG 3.73Å; I161-L199 HydrophobicContact CG1-CD2 3.88Å; I161-L199 HydrophobicContact CG1-CG 3.94Å; I161-R200 HydrophobicContact CD1-CB 3.99Å; I161-F203 HydrophobicContact CD1-CB 4.23Å
162	V	98.8	Very high	97.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.6	176.8	173.4	0	0	0	0	109.9	L62 A66 S69 I70 I160 N164 K165 H166	L62-V162 HydrophobicContact CD1-CB 3.85Å; L62-V162 HydrophobicContact CD1-CG2 3.72Å; L62-V162 HydrophobicContact CD2-CG2 4.4Å; L62-V162 HydrophobicContact CG-CB 4.32Å; L62-V162 HydrophobicContact CG-CG2 3.61Å; A66-V162 VanDerWaalsContact CA-CG1 3.41Å; A66-V162 HydrophobicContact CB-CG1 3.56Å; A66-V162 HydrophobicContact CB-CG2 4.47Å; S69-V162 WeakPolarHBondContact O-CA 3.36Å; I70-V162 HydrophobicContact CG1-CG2 4.18Å; I70-V162 HydrophobicContact CG2-CG2 4.32Å; I160-V162 HydrophobicContact CG2-CG2 4.35Å; V162-N164 PolarHBondContact O-N 3.17Å; V162-K165 PolarHBondContact O-N 3.32Å; V162-H166 HydrophobicContact CB-CB 4.3Å; V162-H166 PolarHBondContact N-O 3.06Å; V162-H166 PolarHBondContact O-N 3.11Å
163	D	98.3	Very high	97.7	Very high	19 Å²	19	11.1 Å²	11.1	10%	0.102	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	24.7	175	-61.3	-28	0	0	0	115.9	E67 K68 S69 K165	E67-D163 PolarHBondContact N-OD2 3.08Å; K68-D163 WeakPolarHBondContact CA-OD1 3.35Å; K68-D163 WeakPolarHBondContact CB-OD1 3.37Å; K68-D163 PolarHBondContact N-OD1 2.96Å; S69-D163 PolarHBondContact N-OD1 2.94Å; S69-D163 PolarHBondContact O-N 2.89Å; S69-D163 PolarHBondContact OG-OD1 3.15Å; D163-K165 HydrophobicContact CB-CD 4.49Å; D163-K165 WeakPolarHBondContact O-CG 3.44Å; D163-K165 PolarHBondContact O-N 3.36Å; D163-K165 VanDerWaalsContact O-N 3.15Å
164	N	97	Very high	98	Very high	34 Å²	34	10.3 Å²	10.3	18%	0.182	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	29.7	-172.9	-49.4	-22.3	0	0	0	113.4	V162 P193 A196 N197 R200	V162-N164 PolarHBondContact O-N 3.17Å; N164-P193 WeakPolarHBondContact O-CA 2.95Å; N164-A196 WeakPolarHBondContact O-CB 3.11Å; N164-N197 WeakPolarHBondContact CB-OD1 3.26Å; N164-R200 PolarHBondContact ND2-NH1 3.44Å; N164-R200 WeakPolarHBondContact OD1-CD 3.25Å; N164-R200 PolarHBondContact OD1-NH1 3.22Å
165	K	97	Very high	98.2	Very high	87 Å²	87	9.4 Å²	9.4	38%	0.378	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-35.7	-178.3	-72.5	175	-177.3	178.6	0	111.9	V162 D163 N191 C192 P193	V162-K165 PolarHBondContact O-N 3.32Å; D163-K165 HydrophobicContact CB-CD 4.49Å; D163-K165 WeakPolarHBondContact O-CG 3.44Å; D163-K165 PolarHBondContact O-N 3.36Å; D163-K165 VanDerWaalsContact O-N 3.15Å; K165-N191 PolarHBondContact O-N 3Å; K165-N191 VanDerWaalsContact O-N 3.14Å; K165-C192 PolarHBondContact O-N 2.97Å; K165-P193 HydrophobicContact CG-CG 4.32Å
166	H	98.4	Very high	98.3	Very high	26 Å²	26	9.4 Å²	9.4	12%	0.12	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.3	-173.8	-47.8	-82.6	0	0	0	109.2	L62 I161 V162 V189 L190 N191	L62-H166 HydrophobicContact CD1-CB 3.36Å; I161-H166 CarbonylContact C-O 3.6Å; I161-H166 WeakPolarHBondContact CA-O 3.42Å; V162-H166 HydrophobicContact CB-CB 4.3Å; V162-H166 PolarHBondContact N-O 3.06Å; V162-H166 PolarHBondContact O-N 3.11Å; H166-V189 CarbonylContact C-O 3.49Å; H166-V189 VanDerWaalsContact CA-O 3.25Å; H166-V189 WeakPolarHBondContact CA-O 3.42Å; H166-L190 HydrophobicContact CB-CD2 3.89Å; H166-L190 WeakPolarHBondContact ND1-CA 3.42Å; H166-L190 WeakPolarHBondContact ND1-CD2 3.22Å; H166-N191 PolarHBondContact CE1-N 2.87Å; H166-N191 VanDerWaalsContact CE1-N 3.31Å; H166-N191 PolarHBondContact ND1-N 2.98Å
167	F	98.9	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	156.3	169.8	66.1	-91.2	0	0	0	113.3	I160 I161 L169 V189 L195 A196 L199 L405	I160-F167 CarbonylContact O-C 3.49Å; I160-F167 WeakPolarHBondContact O-CA 3.4Å; I160-F167 WeakPolarHBondContact O-CB 3.15Å; I161-F167 HydrophobicContact CG1-CB 4.43Å; F167-L169 HydrophobicContact CD2-CB 4.15Å; F167-L169 HydrophobicContact CE2-CB 4.2Å; F167-V189 HydrophobicContact CD1-CB 3.88Å; F167-V189 HydrophobicContact CD1-CG1 4.3Å; F167-V189 HydrophobicContact CD2-CB 4.29Å; F167-V189 HydrophobicContact CD2-CG2 4.3Å; F167-V189 HydrophobicContact CE1-CB 3.47Å; F167-V189 VanDerWaalsContact CE1-CB 3.47Å; F167-V189 HydrophobicContact CE1-CG1 3.65Å; F167-V189 HydrophobicContact CE1-CG2 3.88Å; F167-V189 HydrophobicContact CE2-CB 3.92Å; F167-V189 HydrophobicContact CE2-CG2 3.57Å; F167-V189 HydrophobicContact CG-CB 4.28Å; F167-V189 HydrophobicContact CZ-CB 3.51Å; F167-V189 HydrophobicContact CZ-CG1 3.96Å; F167-V189 HydrophobicContact CZ-CG2 3.33Å; F167-V189 PolarHBondContact N-O 2.74Å; F167-V189 PolarHBondContact O-N 3.41Å; F167-L195 HydrophobicContact CE1-CB 3.64Å; F167-L195 HydrophobicContact CZ-CB 4.02Å; F167-A196 HydrophobicContact CD1-CB 3.96Å; F167-L199 HydrophobicContact CB-CD2 3.71Å; F167-L199 HydrophobicContact CD1-CD2 4.25Å; F167-L199 HydrophobicContact CD2-CD2 3.49Å; F167-L199 VanDerWaalsContact CD2-CD2 3.49Å; F167-L199 HydrophobicContact CE2-CD2 4.11Å; F167-L199 HydrophobicContact CG-CD2 3.56Å; F167-L405 HydrophobicContact CE2-CD1 4.46Å; F167-L405 HydrophobicContact CZ-CD1 4.35Å
168	Y	98.9	Very high	98.3	Very high	1 Å²	1	9.4 Å²	9.4	0%	0.004	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.5	161	167.8	-91	0	0	0	108.8	V37 T55 W59 F159 I160 A172 V187	V37-Y168 HydrophobicContact CB-CE2 4.42Å; V37-Y168 HydrophobicContact CG1-CE2 4.09Å; T55-Y168 HydrophobicContact CG2-CE2 4.13Å; W59-Y168 AromaticContact CD1-CD1 3.99Å; W59-Y168 AromaticContact CD1-CD2 3.92Å; W59-Y168 AromaticContact CD1-CG 3.7Å; W59-Y168 AromaticContact CE2-CD1 3.98Å; W59-Y168 AromaticContact CE2-CE1 3.89Å; W59-Y168 HydrophobicContact CZ2-CD1 4.3Å; W59-Y168 AromaticContact CZ2-CE1 3.87Å; W59-Y168 HydrophobicContact CZ2-CE1 3.87Å; W59-Y168 AromaticContact NE1-CD1 3.09Å; W59-Y168 AromaticContact NE1-CD2 3.54Å; W59-Y168 AromaticContact NE1-CE1 3.28Å; W59-Y168 VanDerWaalsContact NE1-CE1 3.28Å; W59-Y168 AromaticContact NE1-CE2 3.7Å; W59-Y168 AromaticContact NE1-CG 3.23Å; W59-Y168 AromaticContact NE1-CZ 3.59Å; F159-Y168 CarbonylContact C-O 3.59Å; F159-Y168 WeakPolarHBondContact CA-O 3.19Å; F159-Y168 WeakPolarHBondContact CB-O 3.2Å; I160-Y168 PolarHBondContact N-O 2.63Å; I160-Y168 PolarHBondContact O-N 3.33Å; Y168-A172 VanDerWaalsContact OH-CB 3.31Å; Y168-A172 WeakPolarHBondContact OH-CB 3.48Å; Y168-V187 WeakPolarHBondContact CA-O 3.44Å
169	L	98.9	Very high	98.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.4	169.5	177.5	158.5	0	0	0	108.7	F159 F167 G186 V187 L251 I387 I403 L405	F159-L169 HydrophobicContact CB-CB 4.36Å; F167-L169 HydrophobicContact CD2-CB 4.15Å; F167-L169 HydrophobicContact CE2-CB 4.2Å; L169-G186 CarbonylContact O-C 3.52Å; L169-G186 WeakPolarHBondContact O-CA 3.3Å; L169-V187 HydrophobicContact CB-CG1 4.06Å; L169-V187 HydrophobicContact CD2-CG1 4.45Å; L169-V187 PolarHBondContact N-O 3.19Å; L169-V187 PolarHBondContact O-N 2.89Å; L169-L251 HydrophobicContact CD1-CD2 4.1Å; L169-I387 WeakPolarHBondContact CD2-O 3.47Å; L169-I403 HydrophobicContact CD1-CD1 3.71Å; L169-I403 HydrophobicContact CD1-CG1 3.87Å; L169-I403 HydrophobicContact CD1-CG2 4Å; L169-I403 HydrophobicContact CG-CG2 4.26Å; L169-L405 HydrophobicContact CD2-CB 4.4Å
170	G	98.7	Very high	98.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-169.9	177.5	0	0	0	0	0	115.2	K158 A172 T389	K158-G170 WeakPolarHBondContact CB-O 3.3Å; K158-G170 PolarHBondContact O-N 2.78Å; G170-A172 PolarHBondContact O-N 2.95Å; G170-T389 WeakPolarHBondContact O-CG2 3.4Å
171	S	98.6	Very high	98.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-75.2	-19.9	-173.3	48.1	0	0	0	0	115.3	K158 N173 E184 L185 H375	K158-S171 WeakPolarHBondContact CD-O 3.36Å; S171-N173 PolarHBondContact O-N 2.87Å; S171-E184 VanDerWaalsContact CB-OE2 3.29Å; S171-E184 WeakPolarHBondContact CB-OE2 3.48Å; S171-E184 VanDerWaalsContact O-OE2 3.13Å; S171-E184 WeakPolarHBondContact OG-CA 3.34Å; S171-E184 PolarHBondContact OG-OE2 3.12Å; S171-E184 VanDerWaalsContact OG-OE2 3.13Å; S171-L185 PolarHBondContact N-O 2.83Å; S171-L185 PolarHBondContact OG-N 2.92Å; S171-L185 PolarHBondContact OG-O 2.85Å; S171-H375 WeakPolarHBondContact CB-O 3.48Å; S171-H375 PolarHBondContact O-CE1 3.41Å; S171-H375 VanDerWaalsContact O-CE1 3.29Å; S171-H375 PolarHBondContact O-ND1 3.43Å
172	A	98.7	Very high	98.1	Very high	3 Å²	3	9.7 Å²	9.7	3%	0.025	5%	0.046	C	C	.	.			trans	-67.9	125	-174.8	0	0	0	0	0	112.6	T55 W59 K158 Y168 G170 E184	T55-A172 HydrophobicContact CG2-CB 3.79Å; W59-A172 HydrophobicContact CH2-CB 4.18Å; W59-A172 HydrophobicContact CZ2-CB 3.82Å; K158-A172 WeakPolarHBondContact CD-O 3.47Å; Y168-A172 VanDerWaalsContact OH-CB 3.31Å; Y168-A172 WeakPolarHBondContact OH-CB 3.48Å; G170-A172 PolarHBondContact O-N 2.95Å; A172-E184 HydrophobicContact CB-CB 4.07Å; A172-E184 HydrophobicContact CB-CG 3.97Å; A172-E184 PolarHBondContact N-OE2 3.02Å
173	N	98.4	Very high	98.1	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.021	5%	0.046	C	C	.	.			trans	-74.9	157.7	167.7	-58.7	-74.1	0	0	0	109.3	W59 Y75 K76 K158 S171 D175 S178 H375	W59-N173 VanDerWaalsContact CH2-O 3.32Å; W59-N173 WeakPolarHBondContact CH2-O 3.27Å; Y75-N173 WeakPolarHBondContact CD1-OD1 3.27Å; K76-N173 HydrophobicContact CG-CB 4.4Å; K158-N173 WeakPolarHBondContact CE-OD1 3.48Å; S171-N173 PolarHBondContact O-N 2.87Å; N173-D175 HydrophobicContact CB-CB 3.95Å; N173-D175 PolarHBondContact O-N 3.41Å; N173-S178 PolarHBondContact N-OG 2.85Å; N173-S178 WeakPolarHBondContact O-CB 3.33Å; N173-H375 PolarHBondContact ND2-CE1 3.27Å
174	L	98.3	Very high	98.1	Very high	6 Å²	6	8.8 Å²	8.8	3%	0.031	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	60.8	172.7	-164.5	71.1	0	0	0	110.5	W59 I72 A74 K76 S77 S78 L79 M115	W59-L174 HydrophobicContact CE3-CD1 4.27Å; W59-L174 HydrophobicContact CH2-CD1 4.1Å; W59-L174 HydrophobicContact CZ3-CD1 3.71Å; I72-L174 HydrophobicContact CG2-CD2 4.33Å; A74-L174 HydrophobicContact CB-CB 3.87Å; A74-L174 HydrophobicContact CB-CD2 4.28Å; K76-L174 WeakPolarHBondContact O-CB 3.42Å; K76-L174 PolarHBondContact O-N 2.97Å; S77-L174 CarbonylContact C-O 3.58Å; S77-L174 VanDerWaalsContact CA-O 3.31Å; S77-L174 WeakPolarHBondContact CA-O 3.21Å; S78-L174 PolarHBondContact N-O 3.46Å; L79-L174 HydrophobicContact CD1-CD1 4.14Å; L79-L174 HydrophobicContact CD1-CD2 4.3Å; L79-L174 HydrophobicContact CD1-CG 3.94Å; L79-L174 HydrophobicContact CD2-CD1 3.94Å; L79-L174 HydrophobicContact CD2-CG 3.92Å; L79-L174 HydrophobicContact CG-CD1 4.32Å; L79-L174 HydrophobicContact CG-CG 3.89Å; L79-L174 PolarHBondContact N-O 3.31Å; M115-L174 HydrophobicContact SD-CD2 3.87Å
175	D	98	Very high	98.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.6	-165.4	-178.4	-63.3	0	0	0	109.2	K76 S78 N173 R177 S178	K76-D175 VanDerWaalsContact CE-OD2 3.26Å; K76-D175 WeakPolarHBondContact CE-OD2 3.44Å; K76-D175 IonicContact NZ-OD2 2.78Å; S78-D175 WeakPolarHBondContact CB-OD2 3.31Å; S78-D175 WeakPolarHBondContact O-CA 3.35Å; S78-D175 PolarHBondContact OG-OD2 2.68Å; N173-D175 HydrophobicContact CB-CB 3.95Å; N173-D175 PolarHBondContact O-N 3.41Å; D175-R177 PolarHBondContact O-N 2.92Å; D175-R177 VanDerWaalsContact O-N 3.15Å; D175-R177 VanDerWaalsContact OD1-CB 3.22Å; D175-R177 WeakPolarHBondContact OD1-CB 3.45Å; D175-R177 IonicContact OD1-CZ 3.6Å; D175-R177 PolarHBondContact OD1-N 3.3Å; D175-R177 IonicContact OD1-NE 3.74Å; D175-R177 PolarHBondContact OD1-NE 2.94Å; D175-R177 IonicContact OD1-NH2 3.8Å; D175-R177 PolarHBondContact OD1-NH2 3.04Å; D175-R177 IonicContact OD2-CZ 3.94Å; D175-R177 IonicContact OD2-NE 3.13Å; D175-R177 PolarHBondContact OD2-NE 2.98Å; D175-R177 IonicContact OD2-NH2 3.99Å; D175-R177 PolarHBondContact OD2-NH2 3.42Å; D175-S178 WeakPolarHBondContact O-CB 3.46Å; D175-S178 PolarHBondContact O-N 2.98Å
176	W	97.7	Very high	98.3	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.8	-177.3	68.8	-91.3	0	0	0	113.4	S78 L79 G81 L85 T92 S178 L179 N180 Q181 F364 I368	S78-W176 VanDerWaalsContact O-CD1 3.26Å; S78-W176 PolarHBondContact O-N 3.26Å; L79-W176 WeakPolarHBondContact O-CB 3.29Å; G81-W176 VanDerWaalsContact CA-CD1 3.46Å; L85-W176 HydrophobicContact CD1-CH2 4.21Å; L85-W176 HydrophobicContact CD1-CZ2 3.8Å; L85-W176 HydrophobicContact CG-CZ2 4.44Å; T92-W176 HydrophobicContact CG2-CB 4.44Å; T92-W176 HydrophobicContact CG2-CD2 3.76Å; T92-W176 HydrophobicContact CG2-CE3 4.07Å; T92-W176 HydrophobicContact CG2-CG 3.93Å; W176-S178 VanDerWaalsContact C-N 3.26Å; W176-S178 PolarHBondContact O-N 2.87Å; W176-L179 WeakPolarHBondContact O-CB 3.17Å; W176-L179 PolarHBondContact O-N 3.09Å; W176-N180 PolarHBondContact O-OD1 3.09Å; W176-Q181 HydrophobicContact CE3-CG 4.05Å; W176-Q181 HydrophobicContact CH2-CG 4.2Å; W176-Q181 HydrophobicContact CZ3-CG 3.46Å; W176-Q181 VanDerWaalsContact CZ3-CG 3.46Å; W176-F364 AromaticContact CH2-CE1 3.94Å; W176-F364 HydrophobicContact CH2-CE1 3.94Å; W176-F364 AromaticContact CH2-CZ 3.47Å; W176-F364 HydrophobicContact CH2-CZ 3.47Å; W176-F364 VanDerWaalsContact CH2-CZ 3.47Å; W176-F364 HydrophobicContact CZ2-CZ 4.43Å; W176-F364 HydrophobicContact CZ3-CE1 4.07Å; W176-F364 AromaticContact CZ3-CZ 3.91Å; W176-F364 HydrophobicContact CZ3-CZ 3.91Å; W176-I368 HydrophobicContact CH2-CD1 3.8Å; W176-I368 HydrophobicContact CH2-CG2 4.32Å; W176-I368 HydrophobicContact CZ3-CD1 4.3Å
177	R	97.3	Very high	98.3	Very high	7 Å²	7	1.9 Å²	1.9	3%	0.026	1%	0.01	C	C	.	.	H	α-helix	trans	-64.2	-32.6	178.9	-69	154.5	-81.1	-123.4	-3.1	112	S78 D175 L179 Q181 K182 D371	S78-R177 PolarHBondContact OG-NH2 3.19Å; D175-R177 PolarHBondContact O-N 2.92Å; D175-R177 VanDerWaalsContact O-N 3.15Å; D175-R177 VanDerWaalsContact OD1-CB 3.22Å; D175-R177 WeakPolarHBondContact OD1-CB 3.45Å; D175-R177 IonicContact OD1-CZ 3.6Å; D175-R177 PolarHBondContact OD1-N 3.3Å; D175-R177 IonicContact OD1-NE 3.74Å; D175-R177 PolarHBondContact OD1-NE 2.94Å; D175-R177 IonicContact OD1-NH2 3.8Å; D175-R177 PolarHBondContact OD1-NH2 3.04Å; D175-R177 IonicContact OD2-CZ 3.94Å; D175-R177 IonicContact OD2-NE 3.13Å; D175-R177 PolarHBondContact OD2-NE 2.98Å; D175-R177 IonicContact OD2-NH2 3.99Å; D175-R177 PolarHBondContact OD2-NH2 3.42Å; R177-L179 PolarHBondContact O-N 3Å; R177-Q181 HydrophobicContact CB-CB 3.96Å; R177-Q181 HydrophobicContact CB-CG 4.29Å; R177-Q181 HydrophobicContact CG-CB 4.25Å; R177-Q181 HydrophobicContact CG-CG 4.22Å; R177-Q181 CarbonylContact O-C 3.57Å; R177-Q181 WeakPolarHBondContact O-CA 3.19Å; R177-Q181 WeakPolarHBondContact O-CB 3.18Å; R177-Q181 PolarHBondContact O-N 3.28Å; R177-K182 HydrophobicContact CB-CD 4.26Å; R177-K182 PolarHBondContact O-N 3.26Å; R177-D371 VanDerWaalsContact CD-OD2 3.27Å; R177-D371 WeakPolarHBondContact CD-OD2 3.3Å; R177-D371 HydrophobicContact CG-CB 4.37Å; R177-D371 IonicContact NE-OD2 2.74Å; R177-D371 IonicContact NH1-OD2 3.77Å; R177-D371 PolarHBondContact NH1-OD2 2.88Å
178	S	98.4	Very high	98.3	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-71.2	-9.7	177	-74.5	0	0	0	0	112.4	S39 N173 D175 W176 E184	S39-S178 WeakPolarHBondContact CB-O 3.41Å; S39-S178 PolarHBondContact OG-O 2.89Å; N173-S178 PolarHBondContact N-OG 2.85Å; N173-S178 WeakPolarHBondContact O-CB 3.33Å; D175-S178 WeakPolarHBondContact O-CB 3.46Å; D175-S178 PolarHBondContact O-N 2.98Å; W176-S178 VanDerWaalsContact C-N 3.26Å; W176-S178 PolarHBondContact O-N 2.87Å; S178-E184 VanDerWaalsContact CB-OE1 3.29Å; S178-E184 WeakPolarHBondContact CB-OE1 3.49Å; S178-E184 VanDerWaalsContact O-CG 3.29Å; S178-E184 WeakPolarHBondContact O-CG 3.45Å; S178-E184 PolarHBondContact OG-OE1 3.32Å
179	L	98.5	Very high	98.3	Very high	5 Å²	5	1.9 Å²	1.9	3%	0.026	1%	0.01	C	C	.	.	H	α-helix	trans	-91.8	-29	178.5	-58	-179.9	0	0	0	113.3	T55 Y56 W59 M94 I98 W176 R177	T55-L179 HydrophobicContact CG2-CD2 4.01Å; Y56-L179 HydrophobicContact CD2-CD1 4.49Å; W59-L179 HydrophobicContact CD2-CD2 4.42Å; W59-L179 HydrophobicContact CE3-CD2 3.77Å; W59-L179 HydrophobicContact CH2-CD2 4.29Å; W59-L179 HydrophobicContact CZ3-CD2 3.69Å; M94-L179 HydrophobicContact CB-CB 4.08Å; M94-L179 HydrophobicContact CB-CD1 3.81Å; M94-L179 HydrophobicContact SD-CB 4.18Å; I98-L179 HydrophobicContact CG1-CD1 4.21Å; W176-L179 WeakPolarHBondContact O-CB 3.17Å; W176-L179 PolarHBondContact O-N 3.09Å; R177-L179 PolarHBondContact O-N 3Å
180	N	97.4	Very high	98.2	Very high	7 Å²	7	2.3 Å²	2.3	4%	0.037	1%	0.012	C	C	.	.	H	α-helix	trans	-154.1	7.1	-174.5	64.3	-3.4	0	0	0	115.9	P41 E42 S91 M94 W176	P41-N180 CarbonylContact C-O 3.43Å; P41-N180 VanDerWaalsContact CA-O 3.25Å; P41-N180 WeakPolarHBondContact CA-O 3.34Å; E42-N180 HydrophobicContact CG-CB 4.26Å; E42-N180 PolarHBondContact N-O 3.42Å; E42-N180 PolarHBondContact OE1-ND2 3.32Å; S91-N180 PolarHBondContact O-ND2 3.39Å; S91-N180 PolarHBondContact O-OD1 3.21Å; M94-N180 HydrophobicContact SD-CB 4.1Å; W176-N180 PolarHBondContact O-OD1 3.09Å
181	Q	97.1	Very high	98.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-13.4	179.7	-55.5	-56.7	-50.9	0	0	113.7	E42 W176 R177 I368 R372	E42-Q181 PolarHBondContact OE2-NE2 3.02Å; W176-Q181 HydrophobicContact CE3-CG 4.05Å; W176-Q181 HydrophobicContact CH2-CG 4.2Å; W176-Q181 HydrophobicContact CZ3-CG 3.46Å; W176-Q181 VanDerWaalsContact CZ3-CG 3.46Å; R177-Q181 HydrophobicContact CB-CB 3.96Å; R177-Q181 HydrophobicContact CB-CG 4.29Å; R177-Q181 HydrophobicContact CG-CB 4.25Å; R177-Q181 HydrophobicContact CG-CG 4.22Å; R177-Q181 CarbonylContact O-C 3.57Å; R177-Q181 WeakPolarHBondContact O-CA 3.19Å; R177-Q181 WeakPolarHBondContact O-CB 3.18Å; R177-Q181 PolarHBondContact O-N 3.28Å; Q181-I368 HydrophobicContact CB-CD1 4.23Å; Q181-I368 HydrophobicContact CG-CD1 3.74Å; Q181-I368 VanDerWaalsContact OE1-CD1 3.27Å; Q181-R372 HydrophobicContact CB-CG 4.15Å; Q181-R372 WeakPolarHBondContact O-CA 3.38Å
182	K	97.7	Very high	98	Very high	4 Å²	4	5.4 Å²	5.4	2%	0.017	3%	0.028	C	C	.	.	S	Bend	trans	-122	147	-178.7	-67.4	168.4	-175.9	163.7	0	110.2	S39 P41 R177 E184 D371 R373 H375	S39-K182 WeakPolarHBondContact CB-O 3.06Å; S39-K182 VanDerWaalsContact O-O 3.06Å; P41-K182 VanDerWaalsContact CG-C 3.48Å; R177-K182 HydrophobicContact CB-CD 4.26Å; R177-K182 PolarHBondContact O-N 3.26Å; K182-E184 HydrophobicContact CB-CG 4.04Å; K182-E184 WeakPolarHBondContact CB-OE1 3.31Å; K182-E184 VanDerWaalsContact CD-OE1 3.29Å; K182-E184 WeakPolarHBondContact CD-OE1 3.4Å; K182-E184 PolarHBondContact O-N 3.4Å; K182-D371 WeakPolarHBondContact CE-O 3.45Å; K182-D371 WeakPolarHBondContact CG-O 3.14Å; K182-R373 WeakPolarHBondContact CA-O 3.34Å; K182-R373 HydrophobicContact CG-CG 4.24Å; K182-H375 HydrophobicContact CB-CB 4.11Å; K182-H375 HydrophobicContact CD-CB 4.36Å
183	M	97.8	Very high	97.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	B	Isolated β-bridge	trans	-71.8	110.6	162.3	-61	-71.6	-61	0	0	107.1	S39 I40 P41 I44 F46 F356 V358 R373 H375 N376	S39-M183 WeakPolarHBondContact O-CA 3.42Å; I40-M183 HydrophobicContact CD1-CE 3.76Å; I40-M183 HydrophobicContact CD1-SD 4.11Å; P41-M183 WeakPolarHBondContact CD-SD 3.1Å; P41-M183 HydrophobicContact CG-CG 4.12Å; P41-M183 HydrophobicContact CG-SD 4.08Å; I44-M183 HydrophobicContact CD1-SD 4.31Å; F46-M183 HydrophobicContact CE2-CE 4.23Å; F46-M183 HydrophobicContact CZ-CE 3.86Å; F46-M183 HydrophobicContact CZ-SD 4.24Å; M183-F356 HydrophobicContact CG-CD1 4.49Å; M183-F356 HydrophobicContact CG-CE1 3.83Å; M183-F356 HydrophobicContact CG-CZ 4.31Å; M183-F356 HydrophobicContact SD-CE1 4.45Å; M183-F356 HydrophobicContact SD-CZ 4.44Å; M183-V358 HydrophobicContact CG-CG2 4.21Å; M183-R373 PolarHBondContact N-O 3.15Å; M183-H375 CarbonylContact O-C 3.49Å; M183-H375 VanDerWaalsContact O-C 3.23Å; M183-H375 WeakPolarHBondContact O-CA 3.46Å; M183-H375 WeakPolarHBondContact O-CB 3.17Å; M183-H375 PolarHBondContact O-N 2.96Å; M183-N376 PolarHBondContact O-N 2.89Å; M183-N376 PolarHBondContact O-OD1 2.82Å
184	E	98.6	Very high	97.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.8	172.3	-52.3	-74.6	-176.2	0	0	108	E38 S39 S171 A172 S178 K182 H375 N376	E38-E184 CarbonylContact C-O 3.49Å; E38-E184 WeakPolarHBondContact CA-O 3.38Å; S39-E184 PolarHBondContact N-O 2.88Å; S39-E184 PolarHBondContact O-N 3.09Å; S171-E184 VanDerWaalsContact CB-OE2 3.29Å; S171-E184 WeakPolarHBondContact CB-OE2 3.48Å; S171-E184 VanDerWaalsContact O-OE2 3.13Å; S171-E184 WeakPolarHBondContact OG-CA 3.34Å; S171-E184 PolarHBondContact OG-OE2 3.12Å; S171-E184 VanDerWaalsContact OG-OE2 3.13Å; A172-E184 HydrophobicContact CB-CB 4.07Å; A172-E184 HydrophobicContact CB-CG 3.97Å; A172-E184 PolarHBondContact N-OE2 3.02Å; S178-E184 VanDerWaalsContact CB-OE1 3.29Å; S178-E184 WeakPolarHBondContact CB-OE1 3.49Å; S178-E184 VanDerWaalsContact O-CG 3.29Å; S178-E184 WeakPolarHBondContact O-CG 3.45Å; S178-E184 PolarHBondContact OG-OE1 3.32Å; K182-E184 HydrophobicContact CB-CG 4.04Å; K182-E184 WeakPolarHBondContact CB-OE1 3.31Å; K182-E184 VanDerWaalsContact CD-OE1 3.29Å; K182-E184 WeakPolarHBondContact CD-OE1 3.4Å; K182-E184 PolarHBondContact O-N 3.4Å; E184-H375 VanDerWaalsContact CD-ND1 3.3Å; E184-H375 IonicContact OE1-CG 3.72Å; E184-H375 IonicContact OE1-ND1 3.93Å; E184-H375 PolarHBondContact OE1-ND1 3.17Å; E184-H375 VanDerWaalsContact OE1-ND1 3.14Å; E184-H375 WeakPolarHBondContact OE2-CB 3.21Å; E184-H375 IonicContact OE2-CE1 3.37Å; E184-H375 IonicContact OE2-CG 2.63Å; E184-H375 IonicContact OE2-ND1 3.42Å; E184-H375 PolarHBondContact OE2-ND1 2.81Å; E184-N376 WeakPolarHBondContact CA-OD1 3.1Å
185	L	98.7	Very high	97.5	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.01	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.3	171.2	-171.9	144.2	0	0	0	109.6	I36 V37 E38 S171 N376 F378 I387 M420 I423	I36-L185 HydrophobicContact CG2-CD1 4.14Å; I36-L185 HydrophobicContact CG2-CG 4.24Å; V37-L185 CarbonylContact O-C 3.47Å; V37-L185 WeakPolarHBondContact O-CA 3.32Å; E38-L185 HydrophobicContact CG-CB 4.42Å; E38-L185 HydrophobicContact CG-CD1 3.98Å; E38-L185 HydrophobicContact CG-CG 4.22Å; S171-L185 PolarHBondContact N-O 2.83Å; S171-L185 PolarHBondContact OG-N 2.92Å; S171-L185 PolarHBondContact OG-O 2.85Å; L185-N376 WeakPolarHBondContact CB-OD1 3.14Å; L185-N376 PolarHBondContact N-OD1 2.85Å; L185-F378 HydrophobicContact CB-CD1 4.31Å; L185-F378 HydrophobicContact CD1-CD1 3.88Å; L185-F378 HydrophobicContact CD1-CE1 3.8Å; L185-F378 HydrophobicContact CD1-CZ 4.5Å; L185-F378 HydrophobicContact CD2-CB 4.31Å; L185-F378 HydrophobicContact CD2-CD1 4.1Å; L185-F378 HydrophobicContact CD2-CG 4.39Å; L185-F378 HydrophobicContact CG-CD1 4.33Å; L185-I387 HydrophobicContact CD2-CB 4.39Å; L185-I387 HydrophobicContact CD2-CD1 3.91Å; L185-I387 HydrophobicContact CD2-CG1 3.82Å; L185-I387 HydrophobicContact CD2-CG2 3.71Å; L185-M420 HydrophobicContact CD1-CE 3.81Å; L185-M420 HydrophobicContact CD1-SD 4.35Å; L185-M420 HydrophobicContact CD2-CE 3.86Å; L185-I423 HydrophobicContact CD1-CD1 4.44Å; L185-I423 HydrophobicContact CD1-CG2 3.94Å
186	G	98.8	Very high	97.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-169.9	175.5	0	0	0	0	0	111.7	V37 L169	V37-G186 PolarHBondContact N-O 2.79Å; V37-G186 PolarHBondContact O-N 3.24Å; L169-G186 CarbonylContact O-C 3.52Å; L169-G186 WeakPolarHBondContact O-CA 3.3Å
187	V	98.7	Very high	97.4	Very high	1 Å²	1	9 Å²	9	1%	0.006	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.6	178.4	63	0	0	0	0	109.3	I34 E35 Y168 L169 V189 L405	I34-V187 HydrophobicContact CG2-CG2 3.48Å; I34-V187 VanDerWaalsContact CG2-CG2 3.48Å; E35-V187 CarbonylContact O-C 3.59Å; E35-V187 WeakPolarHBondContact O-CA 3.27Å; Y168-V187 WeakPolarHBondContact CA-O 3.44Å; L169-V187 HydrophobicContact CB-CG1 4.06Å; L169-V187 HydrophobicContact CD2-CG1 4.45Å; L169-V187 PolarHBondContact N-O 3.19Å; L169-V187 PolarHBondContact O-N 2.89Å; V187-V189 HydrophobicContact CG1-CG2 4.43Å; V187-V189 HydrophobicContact CG2-CG2 3.76Å; V187-L405 HydrophobicContact CG1-CB 4.42Å; V187-L405 HydrophobicContact CG1-CD1 4.03Å
188	L	98.7	Very high	97.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.1	166.6	177.4	69.1	0	0	0	107.8	I34 E35 V37 A58 L62 L190	I34-L188 WeakPolarHBondContact CA-O 3.26Å; E35-L188 HydrophobicContact CB-CB 4.37Å; E35-L188 PolarHBondContact N-O 2.98Å; E35-L188 PolarHBondContact O-N 2.98Å; V37-L188 HydrophobicContact CG2-CB 3.69Å; A58-L188 HydrophobicContact CB-CB 4.35Å; A58-L188 HydrophobicContact CB-CD2 4.11Å; L62-L188 HydrophobicContact CB-CD1 4.22Å; L62-L188 HydrophobicContact CD1-CD1 4.27Å; L62-L188 HydrophobicContact CD2-CD1 4.41Å; L188-L190 HydrophobicContact CD1-CD2 3.84Å; L188-L190 HydrophobicContact CD1-CG 4.49Å; L188-L190 HydrophobicContact CD2-CD1 4.15Å; L188-L190 HydrophobicContact CD2-CD2 4.22Å; L188-L190 HydrophobicContact CD2-CG 4.27Å; L188-L190 HydrophobicContact CG-CD1 4.44Å; L188-L190 HydrophobicContact CG-CD2 3.91Å; L188-L190 HydrophobicContact CG-CG 4.03Å
189	V	98.3	Very high	97.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.4	176.6	-177.1	0	0	0	0	108.6	S33 I34 H166 F167 V187 C192 L405	S33-V189 CarbonylContact O-C 3.55Å; S33-V189 WeakPolarHBondContact O-CA 3.46Å; I34-V189 HydrophobicContact CG1-CG1 4.19Å; I34-V189 HydrophobicContact CG1-CG2 4.11Å; H166-V189 CarbonylContact C-O 3.49Å; H166-V189 VanDerWaalsContact CA-O 3.25Å; H166-V189 WeakPolarHBondContact CA-O 3.42Å; F167-V189 HydrophobicContact CD1-CB 3.88Å; F167-V189 HydrophobicContact CD1-CG1 4.3Å; F167-V189 HydrophobicContact CD2-CB 4.29Å; F167-V189 HydrophobicContact CD2-CG2 4.3Å; F167-V189 HydrophobicContact CE1-CB 3.47Å; F167-V189 VanDerWaalsContact CE1-CB 3.47Å; F167-V189 HydrophobicContact CE1-CG1 3.65Å; F167-V189 HydrophobicContact CE1-CG2 3.88Å; F167-V189 HydrophobicContact CE2-CB 3.92Å; F167-V189 HydrophobicContact CE2-CG2 3.57Å; F167-V189 HydrophobicContact CG-CB 4.28Å; F167-V189 HydrophobicContact CZ-CB 3.51Å; F167-V189 HydrophobicContact CZ-CG1 3.96Å; F167-V189 HydrophobicContact CZ-CG2 3.33Å; F167-V189 PolarHBondContact N-O 2.74Å; F167-V189 PolarHBondContact O-N 3.41Å; V187-V189 HydrophobicContact CG1-CG2 4.43Å; V187-V189 HydrophobicContact CG2-CG2 3.76Å; V189-C192 HydrophobicContact CG1-CB 3.37Å; V189-L405 HydrophobicContact CG2-CD1 4.42Å
190	L	97.7	Very high	97.1	Very high	10 Å²	10	11.3 Å²	11.3	5%	0.052	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.7	-177.6	-56.6	176.1	0	0	0	110.8	F32 S33 L65 H166 L188 C192	F32-L190 CarbonylContact C-O 3.55Å; F32-L190 VanDerWaalsContact CA-O 3.24Å; F32-L190 WeakPolarHBondContact CA-O 3.34Å; S33-L190 PolarHBondContact N-O 3.08Å; S33-L190 PolarHBondContact O-N 3.23Å; L65-L190 HydrophobicContact CD1-CD2 3.94Å; H166-L190 HydrophobicContact CB-CD2 3.89Å; H166-L190 WeakPolarHBondContact ND1-CA 3.42Å; H166-L190 WeakPolarHBondContact ND1-CD2 3.22Å; L188-L190 HydrophobicContact CD1-CD2 3.84Å; L188-L190 HydrophobicContact CD1-CG 4.49Å; L188-L190 HydrophobicContact CD2-CD1 4.15Å; L188-L190 HydrophobicContact CD2-CD2 4.22Å; L188-L190 HydrophobicContact CD2-CG 4.27Å; L188-L190 HydrophobicContact CG-CD1 4.44Å; L188-L190 HydrophobicContact CG-CD2 3.91Å; L188-L190 HydrophobicContact CG-CG 4.03Å; L190-C192 VanDerWaalsContact C-N 3.28Å; L190-C192 PolarHBondContact O-N 2.94Å
191	N	96.1	Very high	96.9	Very high	64 Å²	64	13.2 Å²	13.2	34%	0.342	7%	0.068	S	C	.	.	S	Bend	trans	54	45.1	175.7	-165.7	35.7	0	0	0	112.5	H31 F32 K165 H166	H31-N191 PolarHBondContact O-ND2 3.42Å; F32-N191 WeakPolarHBondContact CB-O 3.48Å; K165-N191 PolarHBondContact O-N 3Å; K165-N191 VanDerWaalsContact O-N 3.14Å; H166-N191 PolarHBondContact CE1-N 2.87Å; H166-N191 VanDerWaalsContact CE1-N 3.31Å; H166-N191 PolarHBondContact ND1-N 2.98Å
192	C	96.3	Very high	96.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.			trans	-125.8	72.5	179.1	-165.4	0	0	0	0	110.3	F32 K165 V189 L190 C194 L195 A196	F32-C192 HydrophobicContact CB-CB 4.09Å; K165-C192 PolarHBondContact O-N 2.97Å; V189-C192 HydrophobicContact CG1-CB 3.37Å; L190-C192 VanDerWaalsContact C-N 3.28Å; L190-C192 PolarHBondContact O-N 2.94Å; C192-C194 PolarHBondContact O-N 3.49Å; C192-C194 VanDerWaalsContact O-N 3.16Å; C192-C194 PolarHBondContact SG-SG 3.4Å; C192-L195 PolarHBondContact O-N 2.68Å; C192-A196 VanDerWaalsContact O-CB 3.32Å; C192-A196 WeakPolarHBondContact O-CB 3.41Å; C192-A196 PolarHBondContact O-N 3.29Å
193	P	95.6	Very high	96.7	Very high	21 Å²	21	13.1 Å²	13.1	14%	0.136	7%	0.067	C	C	.	.	H	α-helix	trans	-59.1	-29.9	-177.7	-23.1	33.3	0	0	0	113.3	N164 K165 N197	N164-P193 WeakPolarHBondContact O-CA 2.95Å; K165-P193 HydrophobicContact CG-CG 4.32Å; P193-N197 VanDerWaalsContact O-CB 3.29Å; P193-N197 WeakPolarHBondContact O-CB 3.21Å; P193-N197 PolarHBondContact O-N 2.72Å; P193-N197 PolarHBondContact O-ND2 3.25Å
194	C	93.4	Very high	96.5	Very high	2 Å²	2	15 Å²	15	1%	0.014	8%	0.077	C	C	.	.	H	α-helix	trans	-57.1	-55.5	177.6	50.6	0	0	0	0	111.6	F25 C29 C192 D198	F25-C194 HydrophobicContact CD1-CB 3.93Å; C29-C194 WeakPolarHBondContact CB-SG 3.36Å; C29-C194 WeakPolarHBondContact SG-CB 3.3Å; C29-C194 PolarHBondContact SG-N 3.42Å; C29-C194 VanDerWaalsContact SG-N 3.39Å; C29-C194 CovalentContact SG-SG 2.07Å; C29-C194 PolarHBondContact SG-SG 2.9Å; C192-C194 PolarHBondContact O-N 3.49Å; C192-C194 VanDerWaalsContact O-N 3.16Å; C192-C194 PolarHBondContact SG-SG 3.4Å; C194-D198 WeakPolarHBondContact O-CB 3.13Å; C194-D198 PolarHBondContact O-N 3.14Å
195	L	96.4	Very high	96.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-76.7	-33.8	178.9	-67	176.5	0	0	0	112.7	F167 C192 D198 L199 V238 L240 I249	F167-L195 HydrophobicContact CE1-CB 3.64Å; F167-L195 HydrophobicContact CZ-CB 4.02Å; C192-L195 PolarHBondContact O-N 2.68Å; L195-D198 PolarHBondContact O-N 3.29Å; L195-L199 WeakPolarHBondContact O-CB 3.06Å; L195-L199 PolarHBondContact O-N 3.13Å; L195-V238 HydrophobicContact CD2-CB 4.36Å; L195-V238 HydrophobicContact CD2-CG2 3.9Å; L195-L240 HydrophobicContact CD1-CD1 4.4Å; L195-I249 HydrophobicContact CD1-CB 4.3Å; L195-I249 HydrophobicContact CD1-CG2 3.73Å; L195-I249 HydrophobicContact CD2-CG2 4.16Å
196	A	97.6	Very high	95.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.9	-39.1	-179.6	0	0	0	0	0	112.7	I161 N164 F167 C192 L199 R200	I161-A196 HydrophobicContact CG2-CB 4.48Å; N164-A196 WeakPolarHBondContact O-CB 3.11Å; F167-A196 HydrophobicContact CD1-CB 3.96Å; C192-A196 VanDerWaalsContact O-CB 3.32Å; C192-A196 WeakPolarHBondContact O-CB 3.41Å; C192-A196 PolarHBondContact O-N 3.29Å; A196-L199 PolarHBondContact O-N 3.23Å; A196-R200 WeakPolarHBondContact O-CB 3.21Å; A196-R200 PolarHBondContact O-N 3.37Å
197	N	95.3	Very high	95.6	Very high	66 Å²	66	15.7 Å²	15.7	35%	0.353	8%	0.08	S	C	.	.	H	α-helix	trans	-67.8	-37.9	172.7	-77.4	-64.7	0	0	0	111.7	N164 P193 L199 R200 N201	N164-N197 WeakPolarHBondContact CB-OD1 3.26Å; P193-N197 VanDerWaalsContact O-CB 3.29Å; P193-N197 WeakPolarHBondContact O-CB 3.21Å; P193-N197 PolarHBondContact O-N 2.72Å; P193-N197 PolarHBondContact O-ND2 3.25Å; N197-L199 VanDerWaalsContact C-N 3.34Å; N197-L199 PolarHBondContact O-N 2.98Å; N197-R200 WeakPolarHBondContact O-CB 3.22Å; N197-R200 PolarHBondContact O-N 3.12Å; N197-R200 VanDerWaalsContact O-N 3.15Å; N197-N201 PolarHBondContact O-N 3.47Å
198	D	95.5	Very high	95.1	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.027	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-39.9	176.4	-170.5	48	0	0	0	111.9	C194 L195 R200 N201 I202 T230 I232 R263	C194-D198 WeakPolarHBondContact O-CB 3.13Å; C194-D198 PolarHBondContact O-N 3.14Å; L195-D198 PolarHBondContact O-N 3.29Å; D198-R200 VanDerWaalsContact C-N 3.35Å; D198-N201 WeakPolarHBondContact O-CB 3.28Å; D198-N201 PolarHBondContact O-N 3.47Å; D198-I202 PolarHBondContact O-N 3.48Å; D198-T230 WeakPolarHBondContact OD1-CB 3.46Å; D198-T230 PolarHBondContact OD1-OG1 2.94Å; D198-I232 HydrophobicContact CB-CD1 3.97Å; D198-R263 PolarHBondContact O-NH2 3.2Å; D198-R263 IonicContact OD1-CZ 3.55Å; D198-R263 VanDerWaalsContact OD1-CZ 3.28Å; D198-R263 IonicContact OD1-NH1 3.62Å; D198-R263 PolarHBondContact OD1-NH1 3.43Å; D198-R263 IonicContact OD1-NH2 2.78Å; D198-R263 PolarHBondContact OD1-NH2 2.86Å; D198-R263 IonicContact OD2-CZ 3.48Å; D198-R263 IonicContact OD2-NH1 2.84Å; D198-R263 PolarHBondContact OD2-NH1 3.49Å; D198-R263 IonicContact OD2-NH2 3.56Å
199	L	97.1	Very high	94.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-35.3	171.2	-173.5	55.9	0	0	0	112.3	F159 I161 F167 L195 A196 N197 N201 I202 F203 L251 I403	F159-L199 HydrophobicContact CB-CD2 4.16Å; F159-L199 HydrophobicContact CD1-CD1 3.89Å; F159-L199 HydrophobicContact CD2-CD1 4.15Å; F159-L199 HydrophobicContact CD2-CD2 4.12Å; F159-L199 HydrophobicContact CD2-CG 4.08Å; F159-L199 HydrophobicContact CE1-CD1 3.95Å; F159-L199 HydrophobicContact CE2-CD1 4.24Å; F159-L199 HydrophobicContact CE2-CG 4.25Å; F159-L199 HydrophobicContact CG-CD1 3.98Å; F159-L199 HydrophobicContact CG-CD2 4.16Å; F159-L199 HydrophobicContact CG-CG 4.29Å; F159-L199 HydrophobicContact CZ-CD1 4.12Å; I161-L199 HydrophobicContact CD1-CB 4.1Å; I161-L199 HydrophobicContact CD1-CD2 4.26Å; I161-L199 HydrophobicContact CD1-CG 3.73Å; I161-L199 HydrophobicContact CG1-CD2 3.88Å; I161-L199 HydrophobicContact CG1-CG 3.94Å; F167-L199 HydrophobicContact CB-CD2 3.71Å; F167-L199 HydrophobicContact CD1-CD2 4.25Å; F167-L199 HydrophobicContact CD2-CD2 3.49Å; F167-L199 VanDerWaalsContact CD2-CD2 3.49Å; F167-L199 HydrophobicContact CE2-CD2 4.11Å; F167-L199 HydrophobicContact CG-CD2 3.56Å; L195-L199 WeakPolarHBondContact O-CB 3.06Å; L195-L199 PolarHBondContact O-N 3.13Å; A196-L199 PolarHBondContact O-N 3.23Å; N197-L199 VanDerWaalsContact C-N 3.34Å; N197-L199 PolarHBondContact O-N 2.98Å; L199-N201 VanDerWaalsContact C-N 3.31Å; L199-N201 PolarHBondContact O-N 3.35Å; L199-I202 HydrophobicContact CD1-CD1 4.25Å; L199-I202 WeakPolarHBondContact O-CB 3.32Å; L199-I202 PolarHBondContact O-N 3.12Å; L199-I202 VanDerWaalsContact O-N 3.15Å; L199-F203 PolarHBondContact O-N 2.84Å; L199-L251 HydrophobicContact CB-CD1 3.73Å; L199-L251 HydrophobicContact CD1-CD1 4.07Å; L199-L251 HydrophobicContact CG-CD1 4.42Å; L199-I403 HydrophobicContact CD1-CD1 3.19Å
200	R	96.1	Very high	94.3	Very high	56 Å²	56	19.1 Å²	19.1	21%	0.211	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-35.5	174.9	171.5	165	174.3	151.7	5.7	112.2	Y71 I161 N164 A196 N197 D198 I202 F203 L204	Y71-R200 VanDerWaalsContact CZ-NH1 3.27Å; Y71-R200 PolarHBondContact OH-NH1 3.4Å; Y71-R200 PolarHBondContact OH-NH2 2.83Å; I161-R200 HydrophobicContact CD1-CB 3.99Å; N164-R200 PolarHBondContact ND2-NH1 3.44Å; N164-R200 WeakPolarHBondContact OD1-CD 3.25Å; N164-R200 PolarHBondContact OD1-NH1 3.22Å; A196-R200 WeakPolarHBondContact O-CB 3.21Å; A196-R200 PolarHBondContact O-N 3.37Å; N197-R200 WeakPolarHBondContact O-CB 3.22Å; N197-R200 PolarHBondContact O-N 3.12Å; N197-R200 VanDerWaalsContact O-N 3.15Å; D198-R200 VanDerWaalsContact C-N 3.35Å; R200-I202 VanDerWaalsContact C-N 3.27Å; R200-I202 PolarHBondContact O-N 3.42Å; R200-F203 WeakPolarHBondContact O-CB 3.48Å; R200-F203 PolarHBondContact O-N 3.33Å; R200-L204 HydrophobicContact CG-CD1 4.23Å; R200-L204 HydrophobicContact CG-CG 4.32Å; R200-L204 WeakPolarHBondContact O-CG 3.22Å; R200-L204 PolarHBondContact O-N 2.9Å
201	N	93.9	Very high	93.7	Very high	47 Å²	47	19.9 Å²	19.9	25%	0.251	10%	0.104	S	C	.	.	H	α-helix	trans	-60.9	-37.6	173.5	-76.4	-12	0	0	0	112.2	N197 D198 L199 L204 S205 P228	N197-N201 PolarHBondContact O-N 3.47Å; D198-N201 WeakPolarHBondContact O-CB 3.28Å; D198-N201 PolarHBondContact O-N 3.47Å; L199-N201 VanDerWaalsContact C-N 3.31Å; L199-N201 PolarHBondContact O-N 3.35Å; N201-L204 PolarHBondContact O-N 3.07Å; N201-S205 PolarHBondContact O-N 3.35Å; N201-S205 VanDerWaalsContact O-N 3.1Å; N201-S205 PolarHBondContact O-OG 2.79Å; N201-P228 HydrophobicContact CB-CB 3.77Å; N201-P228 HydrophobicContact CB-CG 4.25Å
202	I	94.8	Very high	93.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-46.2	173.6	-61.7	165.3	0	0	0	110.1	F159 D198 L199 R200 L204 S205 Y206 L251 T253 I403	F159-I202 HydrophobicContact CE1-CG2 4.42Å; D198-I202 PolarHBondContact O-N 3.48Å; L199-I202 HydrophobicContact CD1-CD1 4.25Å; L199-I202 WeakPolarHBondContact O-CB 3.32Å; L199-I202 PolarHBondContact O-N 3.12Å; L199-I202 VanDerWaalsContact O-N 3.15Å; R200-I202 VanDerWaalsContact C-N 3.27Å; R200-I202 PolarHBondContact O-N 3.42Å; I202-L204 VanDerWaalsContact C-N 3.34Å; I202-L204 PolarHBondContact O-N 3.49Å; I202-S205 VanDerWaalsContact O-CB 3.32Å; I202-S205 WeakPolarHBondContact O-CB 3.46Å; I202-S205 PolarHBondContact O-N 2.8Å; I202-S205 VanDerWaalsContact O-N 3.16Å; I202-Y206 HydrophobicContact CG2-CE1 4.16Å; I202-Y206 HydrophobicContact CG2-CE2 3.79Å; I202-Y206 PolarHBondContact O-N 3.22Å; I202-L251 HydrophobicContact CD1-CB 4.15Å; I202-L251 HydrophobicContact CD1-CD1 4.16Å; I202-T253 HydrophobicContact CD1-CG2 3.5Å; I202-T253 VanDerWaalsContact CD1-CG2 3.5Å; I202-T253 HydrophobicContact CG1-CG2 3.95Å; I202-T253 HydrophobicContact CG2-CG2 4.02Å; I202-I403 HydrophobicContact CD1-CD1 3.58Å; I202-I403 HydrophobicContact CD1-CG1 4.41Å; I202-I403 HydrophobicContact CG2-CD1 4.36Å
203	F	95.8	Very high	91.8	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-55.9	-46.5	174.5	178.2	-90.9	0	0	0	112.5	Y71 I72 R114 V116 F159 I161 L199 R200 S205 Y206 W207	Y71-F203 AromaticContact CD1-CD1 3.82Å; Y71-F203 HydrophobicContact CD1-CD1 3.82Å; Y71-F203 AromaticContact CD1-CE1 3.42Å; Y71-F203 HydrophobicContact CD1-CE1 3.42Å; Y71-F203 VanDerWaalsContact CD1-CE1 3.42Å; Y71-F203 AromaticContact CD1-CZ 3.86Å; Y71-F203 HydrophobicContact CD1-CZ 3.86Å; Y71-F203 HydrophobicContact CE1-CE1 4.27Å; Y71-F203 HydrophobicContact CG-CD1 4.16Å; Y71-F203 HydrophobicContact CG-CE1 4.12Å; Y71-F203 HydrophobicContact CG-CZ 4.43Å; I72-F203 WeakPolarHBondContact O-CE2 3.17Å; R114-F203 HydrophobicContact CB-CE1 4.27Å; R114-F203 HydrophobicContact CB-CZ 3.9Å; V116-F203 HydrophobicContact CG1-CE2 3.86Å; V116-F203 HydrophobicContact CG1-CZ 3.97Å; V116-F203 HydrophobicContact CG2-CE2 4.43Å; F159-F203 HydrophobicContact CE2-CB 3.89Å; F159-F203 AromaticContact CE2-CD2 3.98Å; F159-F203 HydrophobicContact CE2-CD2 3.98Å; F159-F203 HydrophobicContact CE2-CG 4.41Å; F159-F203 HydrophobicContact CZ-CB 3.97Å; F159-F203 HydrophobicContact CZ-CD2 4.33Å; I161-F203 HydrophobicContact CD1-CB 4.23Å; L199-F203 PolarHBondContact O-N 2.84Å; R200-F203 WeakPolarHBondContact O-CB 3.48Å; R200-F203 PolarHBondContact O-N 3.33Å; F203-S205 VanDerWaalsContact C-N 3.27Å; F203-S205 PolarHBondContact O-N 2.6Å; F203-Y206 WeakPolarHBondContact O-CB 3.24Å; F203-Y206 PolarHBondContact O-N 3.14Å; F203-Y206 VanDerWaalsContact O-N 3.1Å; F203-W207 HydrophobicContact CD1-CB 4.34Å; F203-W207 HydrophobicContact CE1-CB 4.01Å; F203-W207 HydrophobicContact CE1-CD2 4.09Å; F203-W207 AromaticContact CE1-CE3 3.82Å; F203-W207 HydrophobicContact CE1-CE3 3.82Å; F203-W207 HydrophobicContact CE1-CG 4.18Å; F203-W207 HydrophobicContact CZ-CD2 4.29Å; F203-W207 AromaticContact CZ-CE3 3.55Å; F203-W207 HydrophobicContact CZ-CE3 3.55Å; F203-W207 HydrophobicContact CZ-CZ3 4.17Å; F203-W207 WeakPolarHBondContact O-CB 3.37Å; F203-W207 PolarHBondContact O-N 2.78Å
204	L	93.3	Very high	90.1	Very high	41 Å²	41	30.5 Å²	30.5	22%	0.215	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-35.6	179.4	-70.6	174.2	0	0	0	112	R200 N201 I202 Y206 W207 N208 P228	R200-L204 HydrophobicContact CG-CD1 4.23Å; R200-L204 HydrophobicContact CG-CG 4.32Å; R200-L204 WeakPolarHBondContact O-CG 3.22Å; R200-L204 PolarHBondContact O-N 2.9Å; N201-L204 PolarHBondContact O-N 3.07Å; I202-L204 VanDerWaalsContact C-N 3.34Å; I202-L204 PolarHBondContact O-N 3.49Å; L204-Y206 VanDerWaalsContact C-N 3.3Å; L204-Y206 PolarHBondContact O-N 3.48Å; L204-W207 PolarHBondContact O-N 3.45Å; L204-N208 WeakPolarHBondContact O-CB 3.1Å; L204-N208 PolarHBondContact O-N 3.14Å; L204-N208 PolarHBondContact O-ND2 2.93Å; L204-N208 PolarHBondContact O-OD1 3.38Å; L204-P228 HydrophobicContact CB-CG 4.19Å
205	S	91.1	Very high	88.5	Confident	4 Å²	4	33.5 Å²	33.5	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-42.6	173.8	-52.3	0	0	0	0	111.3	N201 I202 F203 L209 P228	N201-S205 PolarHBondContact O-N 3.35Å; N201-S205 VanDerWaalsContact O-N 3.1Å; N201-S205 PolarHBondContact O-OG 2.79Å; I202-S205 VanDerWaalsContact O-CB 3.32Å; I202-S205 WeakPolarHBondContact O-CB 3.46Å; I202-S205 PolarHBondContact O-N 2.8Å; I202-S205 VanDerWaalsContact O-N 3.16Å; F203-S205 VanDerWaalsContact C-N 3.27Å; F203-S205 PolarHBondContact O-N 2.6Å; S205-L209 WeakPolarHBondContact O-CG 3.27Å; S205-L209 PolarHBondContact O-N 2.72Å; S205-P228 WeakPolarHBondContact OG-CD 3.39Å
206	Y	92.9	Very high	86.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-43.7	175.3	-55.9	-21.4	0	0	0	111.6	A73 V116 L144 S157 F159 I202 F203 L204 N208 L209 A210 L258 H259 T401	A73-Y206 HydrophobicContact CB-CD2 4.46Å; V116-Y206 HydrophobicContact CG2-CD2 4.25Å; L144-Y206 HydrophobicContact CD2-CD1 4.4Å; L144-Y206 HydrophobicContact CD2-CG 4.44Å; S157-Y206 WeakPolarHBondContact OG-CE2 3.44Å; S157-Y206 PolarHBondContact OG-OH 2.98Å; F159-Y206 AromaticContact CE1-CE2 3.93Å; F159-Y206 HydrophobicContact CE1-CE2 3.93Å; F159-Y206 HydrophobicContact CZ-CD2 4.37Å; F159-Y206 HydrophobicContact CZ-CE2 4.17Å; I202-Y206 HydrophobicContact CG2-CE1 4.16Å; I202-Y206 HydrophobicContact CG2-CE2 3.79Å; I202-Y206 PolarHBondContact O-N 3.22Å; F203-Y206 WeakPolarHBondContact O-CB 3.24Å; F203-Y206 PolarHBondContact O-N 3.14Å; F203-Y206 VanDerWaalsContact O-N 3.1Å; L204-Y206 VanDerWaalsContact C-N 3.3Å; L204-Y206 PolarHBondContact O-N 3.48Å; Y206-N208 VanDerWaalsContact C-N 3.33Å; Y206-N208 PolarHBondContact O-N 2.87Å; Y206-L209 PolarHBondContact O-N 3.25Å; Y206-A210 VanDerWaalsContact O-CB 3.23Å; Y206-A210 WeakPolarHBondContact O-CB 3.26Å; Y206-A210 PolarHBondContact O-N 3.34Å; Y206-L258 HydrophobicContact CE1-CD1 4.28Å; Y206-H259 AromaticContact CE1-CE1 3.69Å; Y206-H259 AromaticContact CE1-NE2 3.55Å; Y206-T401 HydrophobicContact CD1-CG2 4.38Å; Y206-T401 HydrophobicContact CE1-CG2 3.9Å
207	W	92.9	Very high	84.2	Confident	11 Å²	11	48.9 Å²	48.9	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-39.7	-178.1	-175.5	-95	0	0	0	113.2	R114 V116 E140 R142 F203 L204 L209 A210	R114-W207 HydrophobicContact CB-CE3 4.22Å; R114-W207 HydrophobicContact CB-CH2 3.81Å; R114-W207 HydrophobicContact CB-CZ2 4.45Å; R114-W207 HydrophobicContact CB-CZ3 3.68Å; R114-W207 HydrophobicContact CG-CH2 3.7Å; R114-W207 HydrophobicContact CG-CZ2 4.02Å; R114-W207 HydrophobicContact CG-CZ3 4.12Å; V116-W207 HydrophobicContact CG1-CB 4.29Å; V116-W207 HydrophobicContact CG1-CD2 4.42Å; V116-W207 HydrophobicContact CG1-CE3 3.49Å; V116-W207 VanDerWaalsContact CG1-CE3 3.49Å; V116-W207 HydrophobicContact CG1-CZ3 4.19Å; E140-W207 HydrophobicContact CB-CH2 4.12Å; E140-W207 HydrophobicContact CG-CH2 3.76Å; E140-W207 HydrophobicContact CG-CZ2 4.13Å; E140-W207 VanDerWaalsContact OE1-CZ2 3.25Å; E140-W207 WeakPolarHBondContact OE1-CZ2 3.15Å; E140-W207 WeakPolarHBondContact OE2-CZ2 3.21Å; R142-W207 HydrophobicContact CB-CE3 4.47Å; R142-W207 HydrophobicContact CB-CZ3 4.24Å; R142-W207 HydrophobicContact CG-CE3 4.26Å; R142-W207 HydrophobicContact CG-CH2 3.78Å; R142-W207 HydrophobicContact CG-CZ2 4.09Å; R142-W207 HydrophobicContact CG-CZ3 3.86Å; R142-W207 VanDerWaalsContact CZ-CE2 3.44Å; R142-W207 VanDerWaalsContact NE-CE2 3.27Å; R142-W207 PolarHBondContact NH1-O 3.05Å; R142-W207 VanDerWaalsContact NH1-O 3.1Å; F203-W207 HydrophobicContact CD1-CB 4.34Å; F203-W207 HydrophobicContact CE1-CB 4.01Å; F203-W207 HydrophobicContact CE1-CD2 4.09Å; F203-W207 AromaticContact CE1-CE3 3.82Å; F203-W207 HydrophobicContact CE1-CE3 3.82Å; F203-W207 HydrophobicContact CE1-CG 4.18Å; F203-W207 HydrophobicContact CZ-CD2 4.29Å; F203-W207 AromaticContact CZ-CE3 3.55Å; F203-W207 HydrophobicContact CZ-CE3 3.55Å; F203-W207 HydrophobicContact CZ-CZ3 4.17Å; F203-W207 WeakPolarHBondContact O-CB 3.37Å; F203-W207 PolarHBondContact O-N 2.78Å; L204-W207 PolarHBondContact O-N 3.45Å; W207-L209 VanDerWaalsContact C-N 3.31Å; W207-A210 PolarHBondContact O-N 3.37Å
208	N	88.8	Confident	82	Confident	42 Å²	42	51.9 Å²	51.9	23%	0.225	26%	0.259	C	S	.	.	H	α-helix	trans	-74.2	-24.1	-179.5	-67.1	-8.2	0	0	0	112.3	L204 Y206 T226	L204-N208 WeakPolarHBondContact O-CB 3.1Å; L204-N208 PolarHBondContact O-N 3.14Å; L204-N208 PolarHBondContact O-ND2 2.93Å; L204-N208 PolarHBondContact O-OD1 3.38Å; Y206-N208 VanDerWaalsContact C-N 3.33Å; Y206-N208 PolarHBondContact O-N 2.87Å; N208-T226 PolarHBondContact ND2-O 2.88Å
209	L	88.1	Confident	79.7	Confident	27 Å²	27	55 Å²	55	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-90.6	-21.9	174.2	-67.3	174.1	0	0	0	113.1	L144 S205 Y206 W207 R225 L258	L144-L209 HydrophobicContact CD1-CB 3.64Å; S205-L209 WeakPolarHBondContact O-CG 3.27Å; S205-L209 PolarHBondContact O-N 2.72Å; Y206-L209 PolarHBondContact O-N 3.25Å; W207-L209 VanDerWaalsContact C-N 3.31Å; L209-R225 HydrophobicContact CD2-CG 4.43Å; L209-L258 HydrophobicContact CD1-CD2 3.41Å; L209-L258 VanDerWaalsContact CD1-CD2 3.41Å
210	A	91.5	Very high	77.1	Confident	5 Å²	5	61.3 Å²	61.3	4%	0.041	31%	0.314	C	S	.	.			trans	-79.8	146.4	-179.5	0	0	0	0	0	111.4	R142 L143 L144 Y206 W207	R142-A210 HydrophobicContact CB-CB 3.52Å; L143-A210 CarbonylContact O-C 3.14Å; L143-A210 VanDerWaalsContact O-CA 3.26Å; L143-A210 WeakPolarHBondContact O-CA 3.46Å; L143-A210 WeakPolarHBondContact O-CB 3.43Å; L144-A210 HydrophobicContact CB-CB 4.21Å; L144-A210 HydrophobicContact CD1-CB 4.2Å; Y206-A210 VanDerWaalsContact O-CB 3.23Å; Y206-A210 WeakPolarHBondContact O-CB 3.26Å; Y206-A210 PolarHBondContact O-N 3.34Å; W207-A210 PolarHBondContact O-N 3.37Å
211	T	86.1	Confident	74.5	Confident	25 Å²	25	62.2 Å²	62.2	15%	0.153	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-108.4	147.7	178.6	51.8	0	0	0	0	110.8	R142 L143 H145	R142-T211 WeakPolarHBondContact CA-O 3.44Å; L143-T211 PolarHBondContact N-O 3.31Å; L143-T211 PolarHBondContact O-N 2.8Å; H145-T211 PolarHBondContact CD2-OG1 3.35Å; H145-T211 PolarHBondContact NE2-OG1 3.06Å
212	P	82.3	Confident	72.2	Confident	55 Å²	55	66.1 Å²	66.1	36%	0.357	35%	0.348	S	S	.	.			trans	-58.3	147.9	166	-21.6	33.4	0	0	0	110.8	N214 D215	P212-N214 VanDerWaalsContact C-N 3.25Å; P212-N214 PolarHBondContact O-N 3.41Å; P212-N214 VanDerWaalsContact O-N 3.17Å; P212-D215 HydrophobicContact CB-CB 4.46Å; P212-D215 PolarHBondContact O-N 2.87Å
213	Q	69.5	Low	69.8	Low	93 Å²	93	71.1 Å²	71.1	44%	0.435	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.3	-175.2	178.2	172.7	-11.7	0	0	113.8	L143 D215	L143-Q213 HydrophobicContact CD1-CB 4.17Å; L143-Q213 HydrophobicContact CD1-CG 4.21Å; Q213-D215 VanDerWaalsContact C-N 3.31Å
214	N	60.5	Low	67.7	Low	160 Å²	160	76.4 Å²	76.4	86%	0.856	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.6	-177.6	-69.8	-13.5	0	0	0	113.7	P212	P212-N214 VanDerWaalsContact C-N 3.25Å; P212-N214 PolarHBondContact O-N 3.41Å; P212-N214 VanDerWaalsContact O-N 3.17Å
215	D	59.5	Low	66.2	Low	65 Å²	65	78.2 Å²	78.2	35%	0.348	42%	0.415	S	S	.	.			trans	-110.5	90	178.4	-158.7	-0.8	0	0	0	110.4	P212 Q213 R217	P212-D215 HydrophobicContact CB-CB 4.46Å; P212-D215 PolarHBondContact O-N 2.87Å; Q213-D215 VanDerWaalsContact C-N 3.31Å; D215-R217 WeakPolarHBondContact OD1-CA 3.49Å; D215-R217 VanDerWaalsContact OD1-CB 3.22Å; D215-R217 WeakPolarHBondContact OD1-CB 3.45Å; D215-R217 PolarHBondContact OD1-N 3.05Å
216	S	51.1	Low	65	Low	120 Å²	120	82.4 Å²	82.4	84%	0.839	44%	0.441	S	S	*	.			trans	-76	-9	168.9	56.3	0	0	0	0	112.2	R218	S216-R218 PolarHBondContact O-N 3.05Å
217	R	51.4	Low	63.9	Low	203 Å²	203	84.7 Å²	84.7	77%	0.766	45%	0.452	S	S	*	.	S	Bend	trans	-79.8	114.9	175.2	-51.3	179.1	-165.6	175.8	5.8	106.2	D215 S219	D215-R217 WeakPolarHBondContact OD1-CA 3.49Å; D215-R217 VanDerWaalsContact OD1-CB 3.22Å; D215-R217 WeakPolarHBondContact OD1-CB 3.45Å; D215-R217 PolarHBondContact OD1-N 3.05Å; R217-S219 PolarHBondContact O-N 3.12Å; R217-S219 VanDerWaalsContact O-N 3.09Å
218	R	49.9	Very low	63.3	Low	130 Å²	130	85.9 Å²	85.9	49%	0.491	46%	0.462	S	S	.	.			trans	-49.2	124	164.7	-158.6	179.1	-161.7	176.5	5.6	106	E149 S216 N220	E149-R218 IonicContact OE1-CZ 3.96Å; E149-R218 IonicContact OE1-NE 3.43Å; E149-R218 IonicContact OE1-NH2 2.75Å; E149-R218 PolarHBondContact OE1-NH2 3.45Å; E149-R218 IonicContact OE2-NH2 3.33Å; S216-R218 PolarHBondContact O-N 3.05Å; R218-N220 PolarHBondContact O-N 2.84Å
219	S	47.1	Very low	63.1	Low	69 Å²	69	87.9 Å²	87.9	48%	0.483	48%	0.479	S	S	.	.			trans	-59.9	100.4	158.6	49.6	0	0	0	0	105.3	R217 C221	R217-S219 PolarHBondContact O-N 3.12Å; R217-S219 VanDerWaalsContact O-N 3.09Å; S219-C221 PolarHBondContact O-N 3.37Å
220	N	42.7	Very low	63.2	Low	133 Å²	133	87.4 Å²	87.4	71%	0.711	48%	0.477	S	S	*	.			trans	-63.9	1.7	170.6	-81.5	-13.2	0	0	0	111.3	R218 I222	R218-N220 PolarHBondContact O-N 2.84Å; N220-I222 PolarHBondContact O-N 3.49Å
221	C	41.6	Very low	63.2	Low	75 Å²	75	92 Å²	92	51%	0.507	50%	0.504	S	S	.	.			trans	-66	74.2	165.6	-54.7	0	0	0	0	110.2	S219 S223 D224	S219-C221 PolarHBondContact O-N 3.37Å; C221-S223 PolarHBondContact O-N 2.92Å; C221-S223 VanDerWaalsContact O-N 3.11Å; C221-D224 PolarHBondContact O-N 3.32Å
222	I	46	Very low	63.6	Low	130 Å²	130	91.3 Å²	91.3	67%	0.667	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-51.4	-26.9	164.3	-65.9	171.6	0	0	0	110.3	N220 D224 R225	N220-I222 PolarHBondContact O-N 3.49Å; I222-D224 PolarHBondContact O-N 3.2Å; I222-R225 WeakPolarHBondContact O-CB 3.36Å; I222-R225 PolarHBondContact O-N 3.07Å; I222-R225 VanDerWaalsContact O-N 3.13Å
223	S	43.9	Very low	64.2	Low	104 Å²	104	89.8 Å²	89.8	73%	0.727	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-62.4	-19.1	-177.6	58.2	0	0	0	0	115.7	C221	C221-S223 PolarHBondContact O-N 2.92Å; C221-S223 VanDerWaalsContact O-N 3.11Å
224	D	51.5	Low	65.5	Low	113 Å²	113	88 Å²	88	60%	0.604	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-99.6	2.6	178.6	-140.9	9	0	0	0	113	C221 I222 T226	C221-D224 PolarHBondContact O-N 3.32Å; I222-D224 PolarHBondContact O-N 3.2Å; D224-T226 PolarHBondContact O-N 2.86Å
225	R	61.2	Low	67.1	Low	79 Å²	79	84 Å²	84	30%	0.298	48%	0.475	S	S	.	.			trans	-78.3	40.6	176.5	-62.9	-177.6	169.7	-139.3	-13.3	112.3	E149 L209 I222 I227	E149-R225 IonicContact OE1-CZ 3.84Å; E149-R225 IonicContact OE1-NH1 3.14Å; E149-R225 PolarHBondContact OE1-NH1 3.33Å; E149-R225 IonicContact OE1-NH2 2.72Å; E149-R225 PolarHBondContact OE1-NH2 2.87Å; E149-R225 IonicContact OE2-CZ 2.92Å; E149-R225 IonicContact OE2-NH1 3.12Å; E149-R225 PolarHBondContact OE2-NH1 2.94Å; E149-R225 IonicContact OE2-NH2 3.84Å; L209-R225 HydrophobicContact CD2-CG 4.43Å; I222-R225 WeakPolarHBondContact O-CB 3.36Å; I222-R225 PolarHBondContact O-N 3.07Å; I222-R225 VanDerWaalsContact O-N 3.13Å; R225-I227 PolarHBondContact O-N 3.15Å; R225-I227 VanDerWaalsContact O-N 3.09Å
226	T	66.9	Low	68.9	Low	92 Å²	92	86.9 Å²	86.9	56%	0.564	49%	0.486	S	S	*	.			trans	-68.1	111.1	171.3	54.2	0	0	0	0	108.3	N208 D224 P228	N208-T226 PolarHBondContact ND2-O 2.88Å; D224-T226 PolarHBondContact O-N 2.86Å; T226-P228 WeakPolarHBondContact O-CD 2.89Å
227	I	70.3	Confident	71.1	Confident	48 Å²	48	82.2 Å²	82.2	25%	0.246	45%	0.453	C	S	.	.			trans	-85.2	114.6	170.6	-61.4	172.3	0	0	0	105.8	R225 S229 L258 H261	R225-I227 PolarHBondContact O-N 3.15Å; R225-I227 VanDerWaalsContact O-N 3.09Å; I227-S229 PolarHBondContact O-N 2.87Å; I227-L258 WeakPolarHBondContact CG2-O 3.33Å; I227-H261 PolarHBondContact O-CD2 3.08Å; I227-H261 VanDerWaalsContact O-CD2 3.3Å
228	P	79.6	Confident	73.2	Confident	36 Å²	36	72.9 Å²	72.9	23%	0.234	42%	0.419	C	S	.	.			trans	-63.2	128.5	-178.4	-20.3	32.6	0	0	0	110.8	N201 L204 S205 T226	N201-P228 HydrophobicContact CB-CB 3.77Å; N201-P228 HydrophobicContact CB-CG 4.25Å; L204-P228 HydrophobicContact CB-CG 4.19Å; S205-P228 WeakPolarHBondContact OG-CD 3.39Å; T226-P228 WeakPolarHBondContact O-CD 2.89Å
229	S	84.5	Confident	75.3	Confident	84 Å²	84	68.1 Å²	68.1	59%	0.587	40%	0.404	S	S	*	.			trans	-69.3	153.9	172.7	61	0	0	0	0	111.9	I227	I227-S229 PolarHBondContact O-N 2.87Å
230	T	90	Very high	77.5	Confident	17 Å²	17	65.3 Å²	65.3	10%	0.104	38%	0.384	C	S	.	.			trans	-125.5	149.5	169.1	-170.5	0	0	0	0	111.5	D198 I232 H261 R263	D198-T230 WeakPolarHBondContact OD1-CB 3.46Å; D198-T230 PolarHBondContact OD1-OG1 2.94Å; T230-I232 WeakPolarHBondContact CG2-O 3.29Å; T230-I232 PolarHBondContact OG1-N 2.82Å; T230-H261 PolarHBondContact N-O 3.49Å; T230-R263 VanDerWaalsContact CB-NH2 3.33Å; T230-R263 HydrophobicContact CG2-CB 4.16Å; T230-R263 VanDerWaalsContact CG2-CZ 3.4Å
231	T	91.1	Very high	79.8	Confident	100 Å²	100	62.5 Å²	62.5	61%	0.613	37%	0.374	S	S	*	.	S	Bend	trans	-100	-1.5	166.8	59.1	0	0	0	0	112	H236	T231-H236 WeakPolarHBondContact O-CB 3.38Å
232	I	94.4	Very high	82.3	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.056	35%	0.353	C	S	.	.			trans	-99.2	116.6	-178.6	-61.7	166.6	0	0	0	108.9	D198 T230 H236 V238 F250	D198-I232 HydrophobicContact CB-CD1 3.97Å; T230-I232 WeakPolarHBondContact CG2-O 3.29Å; T230-I232 PolarHBondContact OG1-N 2.82Å; I232-H236 WeakPolarHBondContact CA-O 3.32Å; I232-V238 HydrophobicContact CD1-CG2 3.64Å; I232-V238 HydrophobicContact CG1-CG2 3.94Å; I232-V238 HydrophobicContact CG2-CG2 3.88Å; I232-F250 HydrophobicContact CG2-CB 3.92Å
233	N	95.6	Very high	84.5	Confident	24 Å²	24	61.5 Å²	61.5	13%	0.128	35%	0.353	C	S	.	.	S	Bend	trans	-160.6	-175.5	-177.9	54.1	49.5	0	0	0	111.6	A235 H236 P237 G262 T264	N233-A235 PolarHBondContact O-N 3.04Å; N233-A235 WeakPolarHBondContact OD1-CB 3.32Å; N233-A235 PolarHBondContact OD1-N 2.79Å; N233-A235 VanDerWaalsContact OD1-N 3.07Å; N233-H236 PolarHBondContact N-O 3.26Å; N233-H236 CarbonylContact O-C 3.56Å; N233-H236 PolarHBondContact O-N 3.41Å; N233-H236 VanDerWaalsContact O-N 3.11Å; N233-H236 PolarHBondContact OD1-N 3.47Å; N233-P237 WeakPolarHBondContact O-CA 3.21Å; N233-P237 WeakPolarHBondContact O-CD 3.42Å; N233-G262 WeakPolarHBondContact CB-O 3.35Å; N233-G262 PolarHBondContact ND2-O 2.92Å; N233-T264 WeakPolarHBondContact CB-OG1 3.17Å
234	S	96	Very high	86.8	Confident	55 Å²	55	59.3 Å²	59.3	39%	0.385	35%	0.347	S	S	.	.	S	Bend	trans	-56.2	-33.1	178.1	53.2	0	0	0	0	114.1	T264	S234-T264 WeakPolarHBondContact CB-OG1 3.22Å; S234-T264 PolarHBondContact N-OG1 2.95Å; S234-T264 PolarHBondContact OG-OG1 2.86Å; S234-T264 VanDerWaalsContact OG-OG1 3.12Å
235	A	95.8	Very high	88.8	Confident	75 Å²	75	53.9 Å²	53.9	62%	0.62	32%	0.318	S	S	*	.	S	Bend	trans	-81.7	-30.7	176.6	0	0	0	0	0	112.7	N233 P237	N233-A235 PolarHBondContact O-N 3.04Å; N233-A235 WeakPolarHBondContact OD1-CB 3.32Å; N233-A235 PolarHBondContact OD1-N 2.79Å; N233-A235 VanDerWaalsContact OD1-N 3.07Å; A235-P237 VanDerWaalsContact C-CD 3.49Å
236	H	96.2	Very high	90.4	Very high	126 Å²	126	54.5 Å²	54.5	58%	0.583	32%	0.324	S	S	*	.	S	Bend	trans	-129.9	67.8	-178.4	-57.2	95	0	0	0	111.3	T231 I232 N233	T231-H236 WeakPolarHBondContact O-CB 3.38Å; I232-H236 WeakPolarHBondContact CA-O 3.32Å; N233-H236 PolarHBondContact N-O 3.26Å; N233-H236 CarbonylContact O-C 3.56Å; N233-H236 PolarHBondContact O-N 3.41Å; N233-H236 VanDerWaalsContact O-N 3.11Å; N233-H236 PolarHBondContact OD1-N 3.47Å
237	P	96.8	Very high	91.9	Very high	22 Å²	22	50.1 Å²	50.1	14%	0.143	30%	0.297	C	S	.	.			trans	-74.3	157.6	179.5	30.6	-35.7	0	0	0	111.4	N233 A235 K248 F250	N233-P237 WeakPolarHBondContact O-CA 3.21Å; N233-P237 WeakPolarHBondContact O-CD 3.42Å; A235-P237 VanDerWaalsContact C-CD 3.49Å; P237-K248 HydrophobicContact CB-CB 3.97Å; P237-K248 HydrophobicContact CG-CB 3.76Å; P237-K248 HydrophobicContact CG-CD 4.17Å; P237-K248 HydrophobicContact CG-CG 4.17Å; P237-F250 HydrophobicContact CB-CB 4.45Å; P237-F250 HydrophobicContact CB-CD1 4.17Å
238	V	95.3	Very high	93.1	Very high	8 Å²	8	51 Å²	51	5%	0.048	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.5	165.4	-174.3	0	0	0	0	108	L195 I232 L240 K248 I249	L195-V238 HydrophobicContact CD2-CB 4.36Å; L195-V238 HydrophobicContact CD2-CG2 3.9Å; I232-V238 HydrophobicContact CD1-CG2 3.64Å; I232-V238 HydrophobicContact CG1-CG2 3.94Å; I232-V238 HydrophobicContact CG2-CG2 3.88Å; V238-L240 HydrophobicContact CG1-CD1 4.32Å; V238-L240 HydrophobicContact CG1-CD2 3.7Å; V238-L240 HydrophobicContact CG1-CG 3.83Å; V238-K248 CarbonylContact O-C 3.5Å; V238-K248 WeakPolarHBondContact O-CA 3.29Å; V238-I249 PolarHBondContact N-O 2.95Å; V238-I249 PolarHBondContact O-N 3.27Å
239	V	94.8	Very high	94	Very high	30 Å²	30	49.4 Å²	49.4	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.7	-179.8	-173	0	0	0	0	108.7	N26 E246 K248	N26-V239 PolarHBondContact OD1-O 3Å; V239-E246 HydrophobicContact CG1-CG 3.44Å; V239-E246 VanDerWaalsContact CG1-CG 3.44Å; V239-K248 HydrophobicContact CG2-CG 4.3Å
240	L	93.6	Very high	94.7	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	159.1	-177.2	-55.7	177.4	0	0	0	110.9	C29 F32 L195 V238 T247 I249	C29-L240 HydrophobicContact CB-CD2 3.67Å; F32-L240 HydrophobicContact CD1-CD1 4.48Å; F32-L240 HydrophobicContact CD2-CD1 3.9Å; F32-L240 HydrophobicContact CE1-CB 3.72Å; F32-L240 HydrophobicContact CE1-CD1 4.25Å; F32-L240 HydrophobicContact CE1-CD2 4.36Å; F32-L240 HydrophobicContact CE1-CG 4.33Å; F32-L240 HydrophobicContact CE2-CB 4.05Å; F32-L240 HydrophobicContact CE2-CD1 3.65Å; F32-L240 HydrophobicContact CE2-CG 4.45Å; F32-L240 HydrophobicContact CG-CD1 4.32Å; F32-L240 HydrophobicContact CZ-CB 3.4Å; F32-L240 HydrophobicContact CZ-CD1 3.86Å; F32-L240 HydrophobicContact CZ-CG 4.15Å; L195-L240 HydrophobicContact CD1-CD1 4.4Å; V238-L240 HydrophobicContact CG1-CD1 4.32Å; V238-L240 HydrophobicContact CG1-CD2 3.7Å; V238-L240 HydrophobicContact CG1-CG 3.83Å; L240-T247 PolarHBondContact N-O 2.95Å; L240-T247 PolarHBondContact O-N 2.99Å; L240-I249 HydrophobicContact CD1-CD1 4.26Å
241	S	91.9	Very high	95	Very high	73 Å²	73	44.9 Å²	44.9	51%	0.51	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	110.8	172.5	-177.6	0	0	0	0	110.2	F32 G244 A245	F32-S241 WeakPolarHBondContact CE1-O 3.31Å; F32-S241 VanDerWaalsContact CZ-O 3.23Å; F32-S241 WeakPolarHBondContact CZ-O 3.25Å; S241-G244 WeakPolarHBondContact OG-CA 3.12Å; S241-A245 WeakPolarHBondContact CA-O 3.29Å
242	Y	93.2	Very high	95.3	Very high	15 Å²	15	40.1 Å²	40.1	6%	0.059	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	109.4	177.2	177.5	-91.6	0	0	0	108.9	I34 G244 A245 T247 P415 L416	I34-Y242 HydrophobicContact CB-CD2 4.03Å; I34-Y242 HydrophobicContact CB-CE2 3.95Å; I34-Y242 HydrophobicContact CG2-CE2 4.29Å; I34-Y242 WeakPolarHBondContact O-CE2 3.26Å; Y242-G244 PolarHBondContact O-N 2.96Å; Y242-G244 VanDerWaalsContact O-N 3.17Å; Y242-A245 PolarHBondContact N-O 3.39Å; Y242-A245 WeakPolarHBondContact O-CB 3.34Å; Y242-A245 PolarHBondContact O-N 2.96Å; Y242-T247 WeakPolarHBondContact CB-OG1 3.43Å; Y242-P415 HydrophobicContact CD1-CB 4.41Å; Y242-P415 HydrophobicContact CD1-CG 3.87Å; Y242-P415 HydrophobicContact CE1-CB 4.12Å; Y242-P415 HydrophobicContact CE1-CG 4.09Å; Y242-L416 HydrophobicContact CD1-CB 3.84Å; Y242-L416 HydrophobicContact CE1-CB 3.59Å; Y242-L416 HydrophobicContact CE1-CD1 4.28Å; Y242-L416 HydrophobicContact CE1-CG 4.49Å; Y242-L416 HydrophobicContact CE2-CD1 4.47Å
243	Y	91.7	Very high	95.4	Very high	169 Å²	169	39.7 Å²	39.7	66%	0.663	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	39.7	-172.6	-68.1	-93.8	0	0	0	113	A245 W413	Y243-A245 VanDerWaalsContact C-N 3.32Å; Y243-A245 PolarHBondContact O-N 3.3Å; Y243-W413 PolarHBondContact O-NE1 2.96Å
244	G	91.6	Very high	95.4	Very high	58 Å²	58	38.6 Å²	38.6	60%	0.598	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	-10.1	-179.4	0	0	0	0	0	115.6	S241 Y242	S241-G244 WeakPolarHBondContact OG-CA 3.12Å; Y242-G244 PolarHBondContact O-N 2.96Å; Y242-G244 VanDerWaalsContact O-N 3.17Å
245	A	94.8	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.8	176	0	0	0	0	0	111.8	S241 Y242 Y243 T247 W413 P415	S241-A245 WeakPolarHBondContact CA-O 3.29Å; Y242-A245 PolarHBondContact N-O 3.39Å; Y242-A245 WeakPolarHBondContact O-CB 3.34Å; Y242-A245 PolarHBondContact O-N 2.96Å; Y243-A245 VanDerWaalsContact C-N 3.32Å; Y243-A245 PolarHBondContact O-N 3.3Å; A245-T247 PolarHBondContact O-N 2.86Å; A245-T247 VanDerWaalsContact O-N 3.15Å; A245-T247 PolarHBondContact O-OG1 3.2Å; A245-W413 WeakPolarHBondContact CB-O 3.34Å; A245-P415 HydrophobicContact CB-CG 4.04Å
246	E	95.4	Very high	95	Very high	91 Å²	91	39.5 Å²	39.5	43%	0.425	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	118	169.6	-174.5	-176	111	0	0	109.4	V239 K248	V239-E246 HydrophobicContact CG1-CG 3.44Å; V239-E246 VanDerWaalsContact CG1-CG 3.44Å; E246-K248 WeakPolarHBondContact OE1-CE 3.09Å; E246-K248 IonicContact OE1-NZ 3.57Å
247	T	96.6	Very high	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.3	-175.2	-53.6	0	0	0	0	109.7	L240 Y242 A245 I249 A407 Q408 Q409 L416	L240-T247 PolarHBondContact N-O 2.95Å; L240-T247 PolarHBondContact O-N 2.99Å; Y242-T247 WeakPolarHBondContact CB-OG1 3.43Å; A245-T247 PolarHBondContact O-N 2.86Å; A245-T247 VanDerWaalsContact O-N 3.15Å; A245-T247 PolarHBondContact O-OG1 3.2Å; T247-I249 HydrophobicContact CG2-CD1 3.92Å; T247-I249 HydrophobicContact CG2-CG1 3.78Å; T247-A407 HydrophobicContact CG2-CB 4.12Å; T247-Q408 WeakPolarHBondContact CA-O 3.42Å; T247-Q409 HydrophobicContact CG2-CG 4Å; T247-Q409 PolarHBondContact OG1-NE2 2.82Å; T247-L416 HydrophobicContact CG2-CD2 4.4Å
248	K	97.4	Very high	93.4	Very high	68 Å²	68	36.2 Å²	36.2	30%	0.296	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.7	178.6	-63.1	-179.3	-177.2	175.2	0	109.2	P237 V238 V239 E246 A407 Q408	P237-K248 HydrophobicContact CB-CB 3.97Å; P237-K248 HydrophobicContact CG-CB 3.76Å; P237-K248 HydrophobicContact CG-CD 4.17Å; P237-K248 HydrophobicContact CG-CG 4.17Å; V238-K248 CarbonylContact O-C 3.5Å; V238-K248 WeakPolarHBondContact O-CA 3.29Å; V239-K248 HydrophobicContact CG2-CG 4.3Å; E246-K248 WeakPolarHBondContact OE1-CE 3.09Å; E246-K248 IonicContact OE1-NZ 3.57Å; K248-A407 CarbonylContact O-C 3.14Å; K248-A407 VanDerWaalsContact O-CA 3.26Å; K248-A407 WeakPolarHBondContact O-CA 3.44Å; K248-Q408 HydrophobicContact CB-CB 4.34Å; K248-Q408 PolarHBondContact N-O 2.96Å; K248-Q408 PolarHBondContact O-N 3.02Å
249	I	98.1	Very high	92.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.9	-172.7	-52.2	-176	0	0	0	111.4	I34 L195 V238 L240 T247 L405 V406 A407	I34-I249 HydrophobicContact CD1-CD1 3.3Å; L195-I249 HydrophobicContact CD1-CB 4.3Å; L195-I249 HydrophobicContact CD1-CG2 3.73Å; L195-I249 HydrophobicContact CD2-CG2 4.16Å; V238-I249 PolarHBondContact N-O 2.95Å; V238-I249 PolarHBondContact O-N 3.27Å; L240-I249 HydrophobicContact CD1-CD1 4.26Å; T247-I249 HydrophobicContact CG2-CD1 3.92Å; T247-I249 HydrophobicContact CG2-CG1 3.78Å; I249-L405 HydrophobicContact CG2-CD1 3.96Å; I249-L405 HydrophobicContact CG2-CD2 4.08Å; I249-L405 HydrophobicContact CG2-CG 3.87Å; I249-V406 VanDerWaalsContact CA-O 3.28Å; I249-V406 WeakPolarHBondContact CA-O 3.44Å; I249-A407 HydrophobicContact CG1-CB 4.1Å
250	F	97.7	Very high	90.8	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.9	168.4	65	-84.8	0	0	0	110.9	I232 P237 A252 T264 A269 V406	I232-F250 HydrophobicContact CG2-CB 3.92Å; P237-F250 HydrophobicContact CB-CB 4.45Å; P237-F250 HydrophobicContact CB-CD1 4.17Å; F250-A252 HydrophobicContact CE2-CB 4.18Å; F250-T264 HydrophobicContact CE2-CG2 3.77Å; F250-T264 HydrophobicContact CZ-CG2 4.47Å; F250-A269 HydrophobicContact CE2-CB 4.31Å; F250-A269 HydrophobicContact CZ-CB 4.42Å; F250-V406 HydrophobicContact CD1-CB 4.08Å; F250-V406 HydrophobicContact CD1-CG1 4.33Å; F250-V406 HydrophobicContact CD2-CB 4.27Å; F250-V406 HydrophobicContact CD2-CG2 4.36Å; F250-V406 HydrophobicContact CE1-CB 3.63Å; F250-V406 HydrophobicContact CE1-CG1 3.49Å; F250-V406 VanDerWaalsContact CE1-CG1 3.49Å; F250-V406 HydrophobicContact CE1-CG2 4.39Å; F250-V406 HydrophobicContact CE2-CB 3.84Å; F250-V406 HydrophobicContact CE2-CG1 4.3Å; F250-V406 HydrophobicContact CE2-CG2 3.73Å; F250-V406 HydrophobicContact CG-CB 4.39Å; F250-V406 HydrophobicContact CZ-CB 3.51Å; F250-V406 HydrophobicContact CZ-CG1 3.48Å; F250-V406 VanDerWaalsContact CZ-CG1 3.48Å; F250-V406 HydrophobicContact CZ-CG2 3.75Å; F250-V406 PolarHBondContact N-O 3.16Å; F250-V406 PolarHBondContact O-N 2.07Å
251	L	97.6	Very high	90.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.6	174.4	-58.6	175.1	0	0	0	109.6	L169 L199 I202 R263 A404 L405	L169-L251 HydrophobicContact CD1-CD2 4.1Å; L199-L251 HydrophobicContact CB-CD1 3.73Å; L199-L251 HydrophobicContact CD1-CD1 4.07Å; L199-L251 HydrophobicContact CG-CD1 4.42Å; I202-L251 HydrophobicContact CD1-CB 4.15Å; I202-L251 HydrophobicContact CD1-CD1 4.16Å; L251-R263 WeakPolarHBondContact O-CD 3.42Å; L251-R263 PolarHBondContact O-NH1 3.42Å; L251-A404 WeakPolarHBondContact CA-O 3.47Å; L251-L405 HydrophobicContact CD2-CB 4.06Å; L251-L405 HydrophobicContact CD2-CD1 4.37Å; L251-L405 HydrophobicContact CD2-CG 4.34Å
252	A	97.3	Very high	89.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.8	174.2	0	0	0	0	0	110.2	F250 T264 D266 A269 I403 A404 V406	F250-A252 HydrophobicContact CE2-CB 4.18Å; A252-T264 WeakPolarHBondContact CA-O 3.21Å; A252-T264 HydrophobicContact CB-CG2 4.38Å; A252-T264 WeakPolarHBondContact CB-O 3.47Å; A252-D266 HydrophobicContact CB-CB 4.49Å; A252-A269 HydrophobicContact CB-CB 3.89Å; A252-I403 CarbonylContact O-C 3.46Å; A252-I403 VanDerWaalsContact O-CA 3.28Å; A252-I403 WeakPolarHBondContact O-CA 3.18Å; A252-I403 WeakPolarHBondContact O-CG1 3.35Å; A252-A404 PolarHBondContact N-O 2.97Å; A252-A404 PolarHBondContact O-N 3.13Å; A252-V406 HydrophobicContact CB-CG2 4.26Å
253	T	96.7	Very high	90	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.4	-174.3	57	0	0	0	0	113.1	I202 H259 R263 T264 W265 D266 G402 I403	I202-T253 HydrophobicContact CD1-CG2 3.5Å; I202-T253 VanDerWaalsContact CD1-CG2 3.5Å; I202-T253 HydrophobicContact CG1-CG2 3.95Å; I202-T253 HydrophobicContact CG2-CG2 4.02Å; T253-H259 WeakPolarHBondContact CB-CD2 3.4Å; T253-H259 WeakPolarHBondContact OG1-CB 3.25Å; T253-H259 PolarHBondContact OG1-CD2 3.28Å; T253-R263 HydrophobicContact CG2-CG 4.27Å; T253-R263 VanDerWaalsContact OG1-CG 3.22Å; T253-R263 WeakPolarHBondContact OG1-CG 3.14Å; T253-T264 PolarHBondContact N-O 2.74Å; T253-T264 VanDerWaalsContact N-O 3.07Å; T253-W265 WeakPolarHBondContact O-CA 3.48Å; T253-W265 VanDerWaalsContact O-CD1 3.32Å; T253-D266 PolarHBondContact O-N 3.2Å; T253-G402 CarbonylContact C-O 3.56Å; T253-G402 VanDerWaalsContact CA-O 3.24Å; T253-G402 WeakPolarHBondContact CA-O 3.44Å; T253-I403 HydrophobicContact CG2-CB 4.35Å; T253-I403 HydrophobicContact CG2-CD1 4.32Å; T253-I403 HydrophobicContact CG2-CG1 3.96Å
254	S	95.9	Very high	90.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.3	170	-72	0	0	0	0	110.8	W265 D266 Y396 F397 T401 G402	S254-W265 PolarHBondContact OG-NE1 2.9Å; S254-D266 VanDerWaalsContact OG-CB 3.27Å; S254-D266 WeakPolarHBondContact OG-CB 3.4Å; S254-Y396 WeakPolarHBondContact CB-O 3.26Å; S254-F397 WeakPolarHBondContact OG-CA 3.48Å; S254-T401 WeakPolarHBondContact O-CA 3.47Å; S254-G402 PolarHBondContact N-O 2.78Å; S254-G402 PolarHBondContact O-N 3.14Å
255	P	93.9	Very high	90.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	17%	0.169	C	C	.	.	S	Bend	cis	-73.4	167.2	-12.8	33.9	-36.3	0	0	0	111.5	Y150 N257 L258 T398	Y150-P255 HydrophobicContact CE1-CB 4.48Å; Y150-P255 HydrophobicContact CE1-CG 3.88Å; Y150-P255 HydrophobicContact CE2-CG 3.93Å; Y150-P255 VanDerWaalsContact CZ-CG 3.47Å; Y150-P255 WeakPolarHBondContact OH-CG 3.3Å; P255-N257 VanDerWaalsContact C-N 3.33Å; P255-N257 PolarHBondContact O-N 3.22Å; P255-L258 HydrophobicContact CG-CD1 4.21Å; P255-L258 HydrophobicContact CG-CG 3.95Å; P255-L258 PolarHBondContact O-N 3.35Å; P255-T398 WeakPolarHBondContact CB-O 3.49Å
256	R	89.1	Confident	90.4	Very high	149 Å²	149	36 Å²	36	56%	0.562	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-52.2	-47.8	-173.1	-176.1	175.6	-177.4	165.7	3.1	113.3	L258 H259 E260 W265	R256-L258 VanDerWaalsContact C-N 3.35Å; R256-L258 PolarHBondContact O-N 3.01Å; R256-H259 PolarHBondContact O-N 3.47Å; R256-E260 HydrophobicContact CG-CG 4.32Å; R256-E260 PolarHBondContact O-N 2.84Å; R256-W265 HydrophobicContact CB-CD2 4.2Å; R256-W265 HydrophobicContact CB-CG 4.17Å
257	N	80.9	Confident	90.5	Very high	70 Å²	70	31.9 Å²	31.9	37%	0.374	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-74.3	-14.4	-171.9	66.4	-45.6	0	0	0	115.1	Y150 P255 H259 E260	Y150-N257 WeakPolarHBondContact CE1-ND2 3.35Å; Y150-N257 WeakPolarHBondContact CE1-OD1 3.22Å; Y150-N257 PolarHBondContact OH-ND2 3.06Å; Y150-N257 PolarHBondContact OH-OD1 3.46Å; P255-N257 VanDerWaalsContact C-N 3.33Å; P255-N257 PolarHBondContact O-N 3.22Å; N257-H259 PolarHBondContact O-N 3.43Å; N257-E260 WeakPolarHBondContact CA-OE1 3.27Å
258	L	77.9	Confident	90.5	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-71.8	-11.4	170.5	-71.7	-168.5	0	0	0	112.8	L146 Y150 Y206 L209 I227 P255 R256 T401	L146-L258 HydrophobicContact CD2-CD1 4.23Å; Y150-L258 HydrophobicContact CE2-CD2 4.3Å; Y150-L258 HydrophobicContact CE2-CG 4.39Å; Y150-L258 WeakPolarHBondContact OH-CD2 3.46Å; Y150-L258 WeakPolarHBondContact OH-CG 3.36Å; Y206-L258 HydrophobicContact CE1-CD1 4.28Å; L209-L258 HydrophobicContact CD1-CD2 3.41Å; L209-L258 VanDerWaalsContact CD1-CD2 3.41Å; I227-L258 WeakPolarHBondContact CG2-O 3.33Å; P255-L258 HydrophobicContact CG-CD1 4.21Å; P255-L258 HydrophobicContact CG-CG 3.95Å; P255-L258 PolarHBondContact O-N 3.35Å; R256-L258 VanDerWaalsContact C-N 3.35Å; R256-L258 PolarHBondContact O-N 3.01Å; L258-T401 HydrophobicContact CD1-CG2 3.63Å
259	H	70.5	Confident	90.5	Very high	8 Å²	8	33 Å²	33	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-143.1	22.9	-169.2	-53.7	-70.7	0	0	0	114.4	Y206 T253 R256 N257 H261 R263	Y206-H259 AromaticContact CE1-CE1 3.69Å; Y206-H259 AromaticContact CE1-NE2 3.55Å; T253-H259 WeakPolarHBondContact CB-CD2 3.4Å; T253-H259 WeakPolarHBondContact OG1-CB 3.25Å; T253-H259 PolarHBondContact OG1-CD2 3.28Å; R256-H259 PolarHBondContact O-N 3.47Å; N257-H259 PolarHBondContact O-N 3.43Å; H259-H261 PolarHBondContact O-N 3.31Å; H259-R263 HydrophobicContact CB-CB 3.64Å; H259-R263 HydrophobicContact CB-CG 3.76Å; H259-R263 WeakPolarHBondContact O-CB 3.49Å; H259-R263 PolarHBondContact O-N 3.33Å
260	E	64.6	Low	90.6	Very high	124 Å²	124	33 Å²	33	58%	0.579	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-4.1	-172.4	-89.5	173	-168	0	0	116.5	R256 N257 G262	R256-E260 HydrophobicContact CG-CG 4.32Å; R256-E260 PolarHBondContact O-N 2.84Å; N257-E260 WeakPolarHBondContact CA-OE1 3.27Å; E260-G262 VanDerWaalsContact C-N 3.28Å; E260-G262 PolarHBondContact O-N 3.39Å
261	H	78.8	Confident	90.6	Very high	99 Å²	99	33.6 Å²	33.6	46%	0.458	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	59.2	175.8	-57.6	-56.9	0	0	0	113.3	I227 T230 H259	I227-H261 PolarHBondContact O-CD2 3.08Å; I227-H261 VanDerWaalsContact O-CD2 3.3Å; T230-H261 PolarHBondContact N-O 3.49Å; H259-H261 PolarHBondContact O-N 3.31Å
262	G	89.1	Confident	90.7	Very high	35 Å²	35	36.4 Å²	36.4	36%	0.361	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	4.5	171	0	0	0	0	0	115.8	N233 E260	N233-G262 WeakPolarHBondContact CB-O 3.35Å; N233-G262 PolarHBondContact ND2-O 2.92Å; E260-G262 VanDerWaalsContact C-N 3.28Å; E260-G262 PolarHBondContact O-N 3.39Å
263	R	93.7	Very high	90.7	Very high	29 Å²	29	36.7 Å²	36.7	11%	0.109	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-79.8	138.7	176.3	-173	66.1	61.7	-170.2	0.7	111.1	D198 T230 L251 T253 H259	D198-R263 PolarHBondContact O-NH2 3.2Å; D198-R263 IonicContact OD1-CZ 3.55Å; D198-R263 VanDerWaalsContact OD1-CZ 3.28Å; D198-R263 IonicContact OD1-NH1 3.62Å; D198-R263 PolarHBondContact OD1-NH1 3.43Å; D198-R263 IonicContact OD1-NH2 2.78Å; D198-R263 PolarHBondContact OD1-NH2 2.86Å; D198-R263 IonicContact OD2-CZ 3.48Å; D198-R263 IonicContact OD2-NH1 2.84Å; D198-R263 PolarHBondContact OD2-NH1 3.49Å; D198-R263 IonicContact OD2-NH2 3.56Å; T230-R263 VanDerWaalsContact CB-NH2 3.33Å; T230-R263 HydrophobicContact CG2-CB 4.16Å; T230-R263 VanDerWaalsContact CG2-CZ 3.4Å; L251-R263 WeakPolarHBondContact O-CD 3.42Å; L251-R263 PolarHBondContact O-NH1 3.42Å; T253-R263 HydrophobicContact CG2-CG 4.27Å; T253-R263 VanDerWaalsContact OG1-CG 3.22Å; T253-R263 WeakPolarHBondContact OG1-CG 3.14Å; H259-R263 HydrophobicContact CB-CB 3.64Å; H259-R263 HydrophobicContact CB-CG 3.76Å; H259-R263 WeakPolarHBondContact O-CB 3.49Å; H259-R263 PolarHBondContact O-N 3.33Å
264	T	95.9	Very high	90.8	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.043	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.1	170.9	-57.6	0	0	0	0	110.8	N233 S234 F250 A252 T253 A269	N233-T264 WeakPolarHBondContact CB-OG1 3.17Å; S234-T264 WeakPolarHBondContact CB-OG1 3.22Å; S234-T264 PolarHBondContact N-OG1 2.95Å; S234-T264 PolarHBondContact OG-OG1 2.86Å; S234-T264 VanDerWaalsContact OG-OG1 3.12Å; F250-T264 HydrophobicContact CE2-CG2 3.77Å; F250-T264 HydrophobicContact CZ-CG2 4.47Å; A252-T264 WeakPolarHBondContact CA-O 3.21Å; A252-T264 HydrophobicContact CB-CG2 4.38Å; A252-T264 WeakPolarHBondContact CB-O 3.47Å; T253-T264 PolarHBondContact N-O 2.74Å; T253-T264 VanDerWaalsContact N-O 3.07Å; T264-A269 HydrophobicContact CG2-CB 4.21Å
265	W	96	Very high	90.9	Very high	53 Å²	53	41 Å²	41	20%	0.201	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.7	173.8	-176.5	26.5	0	0	0	110.5	T253 S254 R256 L267 E268 A269 F397	T253-W265 WeakPolarHBondContact O-CA 3.48Å; T253-W265 VanDerWaalsContact O-CD1 3.32Å; S254-W265 PolarHBondContact OG-NE1 2.9Å; R256-W265 HydrophobicContact CB-CD2 4.2Å; R256-W265 HydrophobicContact CB-CG 4.17Å; W265-L267 VanDerWaalsContact C-N 3.26Å; W265-L267 HydrophobicContact CD2-CB 3.81Å; W265-L267 HydrophobicContact CE3-CB 4.14Å; W265-L267 HydrophobicContact CE3-CD2 4.44Å; W265-L267 HydrophobicContact CG-CB 4.33Å; W265-L267 HydrophobicContact CH2-CB 4.23Å; W265-L267 HydrophobicContact CH2-CD2 3.37Å; W265-L267 HydrophobicContact CH2-CG 4.37Å; W265-L267 HydrophobicContact CZ2-CB 3.87Å; W265-L267 HydrophobicContact CZ2-CD2 3.6Å; W265-L267 HydrophobicContact CZ2-CG 4.4Å; W265-L267 HydrophobicContact CZ3-CB 4.34Å; W265-L267 HydrophobicContact CZ3-CD2 3.82Å; W265-L267 PolarHBondContact O-N 2.83Å; W265-E268 HydrophobicContact CB-CB 4.06Å; W265-E268 WeakPolarHBondContact O-CA 3.35Å; W265-E268 WeakPolarHBondContact O-CB 3.28Å; W265-E268 PolarHBondContact O-N 3.41Å; W265-A269 PolarHBondContact O-N 3.19Å; W265-F397 HydrophobicContact CZ2-CB 4.2Å; W265-F397 WeakPolarHBondContact CZ2-O 3.38Å; W265-F397 PolarHBondContact NE1-O 3.04Å
266	D	95.7	Very high	91.1	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-53.3	-43	-179.7	-168.1	19.6	0	0	0	112	A252 T253 S254 E268 A269 I270 S390 F397 A404	A252-D266 HydrophobicContact CB-CB 4.49Å; T253-D266 PolarHBondContact O-N 3.2Å; S254-D266 VanDerWaalsContact OG-CB 3.27Å; S254-D266 WeakPolarHBondContact OG-CB 3.4Å; D266-E268 VanDerWaalsContact C-N 3.34Å; D266-E268 PolarHBondContact O-N 3.01Å; D266-A269 PolarHBondContact O-N 2.8Å; D266-I270 WeakPolarHBondContact O-CG1 3.43Å; D266-I270 PolarHBondContact O-N 2.79Å; D266-I270 VanDerWaalsContact O-N 3.09Å; D266-S390 PolarHBondContact OD2-OG 3.28Å; D266-F397 HydrophobicContact CB-CD1 4.3Å; D266-F397 HydrophobicContact CB-CE1 4.43Å; D266-A404 VanDerWaalsContact OD1-CB 3.26Å; D266-A404 WeakPolarHBondContact OD1-CB 3.24Å
267	L	97.6	Very high	91.6	Very high	6 Å²	6	36 Å²	36	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-42.3	176.1	-177.3	60.4	0	0	0	112.3	W265 A269 I270 T271 W301 V303 I304 F397	W265-L267 VanDerWaalsContact C-N 3.26Å; W265-L267 HydrophobicContact CD2-CB 3.81Å; W265-L267 HydrophobicContact CE3-CB 4.14Å; W265-L267 HydrophobicContact CE3-CD2 4.44Å; W265-L267 HydrophobicContact CG-CB 4.33Å; W265-L267 HydrophobicContact CH2-CB 4.23Å; W265-L267 HydrophobicContact CH2-CD2 3.37Å; W265-L267 HydrophobicContact CH2-CG 4.37Å; W265-L267 HydrophobicContact CZ2-CB 3.87Å; W265-L267 HydrophobicContact CZ2-CD2 3.6Å; W265-L267 HydrophobicContact CZ2-CG 4.4Å; W265-L267 HydrophobicContact CZ3-CB 4.34Å; W265-L267 HydrophobicContact CZ3-CD2 3.82Å; W265-L267 PolarHBondContact O-N 2.83Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-I270 PolarHBondContact O-N 3.38Å; L267-T271 HydrophobicContact CD1-CG2 4.06Å; L267-T271 HydrophobicContact CG-CG2 4.32Å; L267-T271 WeakPolarHBondContact O-CG2 3.23Å; L267-T271 PolarHBondContact O-N 3.13Å; L267-T271 PolarHBondContact O-OG1 2.98Å; L267-T271 VanDerWaalsContact O-OG1 3.06Å; L267-W301 HydrophobicContact CD1-CH2 3.62Å; L267-W301 HydrophobicContact CD1-CZ2 4.47Å; L267-W301 HydrophobicContact CD1-CZ3 4.4Å; L267-W301 HydrophobicContact CD2-CH2 3.43Å; L267-W301 VanDerWaalsContact CD2-CH2 3.43Å; L267-W301 HydrophobicContact CD2-CZ2 3.43Å; L267-W301 VanDerWaalsContact CD2-CZ2 3.43Å; L267-W301 HydrophobicContact CG-CH2 4.15Å; L267-V303 HydrophobicContact CD1-CG1 4.2Å; L267-V303 HydrophobicContact CD2-CG1 4.02Å; L267-V303 HydrophobicContact CG-CG1 4.35Å; L267-I304 HydrophobicContact CD1-CD1 3.95Å; L267-I304 HydrophobicContact CD1-CG1 3.7Å; L267-F397 HydrophobicContact CB-CB 4.08Å; L267-F397 HydrophobicContact CB-CD1 3.84Å; L267-F397 HydrophobicContact CB-CG 4.02Å; L267-F397 HydrophobicContact CD1-CD1 4.36Å; L267-F397 HydrophobicContact CD1-CD2 4.24Å; L267-F397 HydrophobicContact CD1-CE2 4.48Å; L267-F397 HydrophobicContact CD1-CG 4.17Å; L267-F397 HydrophobicContact CD2-CB 4.4Å
268	E	96.6	Very high	92.3	Very high	83 Å²	83	38.5 Å²	38.5	39%	0.388	20%	0.202	S	C	.	.	H	α-helix	trans	-65.2	-38.9	179.5	-175.5	-176.6	169.2	0	0	111.1	W265 D266 T271 S272	W265-E268 HydrophobicContact CB-CB 4.06Å; W265-E268 WeakPolarHBondContact O-CA 3.35Å; W265-E268 WeakPolarHBondContact O-CB 3.28Å; W265-E268 PolarHBondContact O-N 3.41Å; D266-E268 VanDerWaalsContact C-N 3.34Å; D266-E268 PolarHBondContact O-N 3.01Å; E268-T271 PolarHBondContact O-OG1 2.7Å; E268-S272 WeakPolarHBondContact O-CB 3.38Å; E268-S272 PolarHBondContact O-N 3.5Å; E268-S272 PolarHBondContact O-OG 3.23Å
269	A	98	Very high	93.1	Very high	7 Å²	7	44.3 Å²	44.3	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-46.2	173.7	0	0	0	0	0	111.6	F250 A252 T264 W265 D266 L267 A273 V406	F250-A269 HydrophobicContact CE2-CB 4.31Å; F250-A269 HydrophobicContact CZ-CB 4.42Å; A252-A269 HydrophobicContact CB-CB 3.89Å; T264-A269 HydrophobicContact CG2-CB 4.21Å; W265-A269 PolarHBondContact O-N 3.19Å; D266-A269 PolarHBondContact O-N 2.8Å; L267-A269 VanDerWaalsContact C-N 3.33Å; A269-A273 WeakPolarHBondContact O-CB 3.47Å; A269-A273 PolarHBondContact O-N 3.33Å; A269-A273 VanDerWaalsContact O-N 3.09Å; A269-V406 HydrophobicContact CB-CG2 3.79Å
270	I	98.7	Very high	94.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-52.9	177.5	-67.2	166.9	0	0	0	111	D266 L267 S272 A273 I274 I304 M379 I386 W392 F397	D266-I270 WeakPolarHBondContact O-CG1 3.43Å; D266-I270 PolarHBondContact O-N 2.79Å; D266-I270 VanDerWaalsContact O-N 3.09Å; L267-I270 PolarHBondContact O-N 3.38Å; I270-S272 VanDerWaalsContact C-N 3.32Å; I270-S272 PolarHBondContact O-N 2.62Å; I270-A273 PolarHBondContact O-N 2.85Å; I270-I274 HydrophobicContact CG2-CD1 3.85Å; I270-I274 WeakPolarHBondContact O-CG1 3.44Å; I270-I274 PolarHBondContact O-N 3.27Å; I270-I304 HydrophobicContact CG2-CD1 4.23Å; I270-I304 HydrophobicContact CG2-CG1 4.39Å; I270-M379 HydrophobicContact CG2-SD 4.29Å; I270-I386 HydrophobicContact CB-CD1 4.49Å; I270-I386 HydrophobicContact CG1-CD1 4.07Å; I270-I386 HydrophobicContact CG1-CG2 4.42Å; I270-W392 HydrophobicContact CD1-CZ2 4.13Å; I270-W392 HydrophobicContact CG1-CZ2 4.42Å; I270-W392 HydrophobicContact CG2-CH2 3.93Å; I270-W392 HydrophobicContact CG2-CZ2 4.11Å; I270-W392 HydrophobicContact CG2-CZ3 4.4Å; I270-F397 HydrophobicContact CD1-CE1 3.61Å; I270-F397 HydrophobicContact CD1-CZ 3.74Å
271	T	98.6	Very high	96.1	Very high	20 Å²	20	38.6 Å²	38.6	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-36.6	-177	54.7	0	0	0	0	111.8	L267 E268 I274 H275 V303	L267-T271 HydrophobicContact CD1-CG2 4.06Å; L267-T271 HydrophobicContact CG-CG2 4.32Å; L267-T271 WeakPolarHBondContact O-CG2 3.23Å; L267-T271 PolarHBondContact O-N 3.13Å; L267-T271 PolarHBondContact O-OG1 2.98Å; L267-T271 VanDerWaalsContact O-OG1 3.06Å; E268-T271 PolarHBondContact O-OG1 2.7Å; T271-I274 PolarHBondContact O-N 3.45Å; T271-H275 WeakPolarHBondContact O-CB 3.4Å; T271-H275 PolarHBondContact O-CD2 2.82Å; T271-H275 VanDerWaalsContact O-CG 3.22Å; T271-H275 PolarHBondContact O-N 3.15Å; T271-V303 HydrophobicContact CG2-CG1 3.92Å
272	S	98.5	Very high	97	Very high	59 Å²	59	34.1 Å²	34.1	41%	0.413	18%	0.181	S	C	.	.	H	α-helix	trans	-64.2	-41.9	176.4	-61.2	0	0	0	0	111.7	E268 I270 H275 A276	E268-S272 WeakPolarHBondContact O-CB 3.38Å; E268-S272 PolarHBondContact O-N 3.5Å; E268-S272 PolarHBondContact O-OG 3.23Å; I270-S272 VanDerWaalsContact C-N 3.32Å; I270-S272 PolarHBondContact O-N 2.62Å; S272-H275 PolarHBondContact O-N 3.25Å; S272-A276 VanDerWaalsContact O-CB 3.31Å; S272-A276 WeakPolarHBondContact O-CB 3.11Å; S272-A276 PolarHBondContact O-N 2.73Å
273	A	98.7	Very high	97.5	Very high	6 Å²	6	32.4 Å²	32.4	5%	0.05	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-43.2	174	0	0	0	0	0	111.6	A269 I270 H275 A276 A277 M379 T384 I386	A269-A273 WeakPolarHBondContact O-CB 3.47Å; A269-A273 PolarHBondContact O-N 3.33Å; A269-A273 VanDerWaalsContact O-N 3.09Å; I270-A273 PolarHBondContact O-N 2.85Å; A273-H275 PolarHBondContact O-N 2.77Å; A273-A276 PolarHBondContact O-N 3.28Å; A273-A277 PolarHBondContact O-N 3.06Å; A273-M379 HydrophobicContact CB-CE 4.49Å; A273-T384 HydrophobicContact CB-CG2 3.93Å; A273-I386 HydrophobicContact CB-CD1 3.88Å
274	I	98.8	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-45.8	175.4	-67	166.9	0	0	0	111.4	I270 T271 A276 A277 I281 I304 A307 L308 A311 R315 M379	I270-I274 HydrophobicContact CG2-CD1 3.85Å; I270-I274 WeakPolarHBondContact O-CG1 3.44Å; I270-I274 PolarHBondContact O-N 3.27Å; T271-I274 PolarHBondContact O-N 3.45Å; I274-A276 VanDerWaalsContact C-N 3.31Å; I274-A276 PolarHBondContact O-N 2.99Å; I274-A277 PolarHBondContact O-N 2.81Å; I274-I281 HydrophobicContact CB-CD1 4.4Å; I274-I281 HydrophobicContact CG1-CD1 4.45Å; I274-I281 HydrophobicContact CG2-CD1 3.94Å; I274-I304 HydrophobicContact CD1-CG2 3.95Å; I274-A307 HydrophobicContact CB-CB 4.24Å; I274-A307 HydrophobicContact CD1-CB 4.1Å; I274-A307 VanDerWaalsContact CG2-C 3.48Å; I274-A307 HydrophobicContact CG2-CB 3.66Å; I274-A307 VanDerWaalsContact CG2-O 3.29Å; I274-A307 WeakPolarHBondContact CG2-O 3.49Å; I274-L308 HydrophobicContact CD1-CD2 3.87Å; I274-L308 HydrophobicContact CD1-CG 4.19Å; I274-L308 HydrophobicContact CG1-CD2 4.05Å; I274-L308 HydrophobicContact CG2-CD2 4.14Å; I274-A311 HydrophobicContact CG2-CB 4.16Å; I274-R315 PolarHBondContact O-NH2 3.4Å; I274-M379 HydrophobicContact CB-CE 4.36Å; I274-M379 HydrophobicContact CD1-CE 4.28Å; I274-M379 HydrophobicContact CG1-CE 3.3Å; I274-M379 HydrophobicContact CG1-SD 4.05Å
275	H	98.6	Very high	97.9	Very high	92 Å²	92	30.7 Å²	30.7	43%	0.426	16%	0.157	S	C	.	.	H	α-helix	trans	-65.9	-33.9	179.9	-69.7	-46.4	0	0	0	112.6	T271 S272 A273	T271-H275 WeakPolarHBondContact O-CB 3.4Å; T271-H275 PolarHBondContact O-CD2 2.82Å; T271-H275 VanDerWaalsContact O-CG 3.22Å; T271-H275 PolarHBondContact O-N 3.15Å; S272-H275 PolarHBondContact O-N 3.25Å; A273-H275 PolarHBondContact O-N 2.77Å
276	A	98	Very high	97.9	Very high	46 Å²	46	28.2 Å²	28.2	38%	0.38	15%	0.147	S	C	.	.	H	α-helix	trans	-75.8	-33.8	179	0	0	0	0	0	113.4	S272 A273 I274 K278	S272-A276 VanDerWaalsContact O-CB 3.31Å; S272-A276 WeakPolarHBondContact O-CB 3.11Å; S272-A276 PolarHBondContact O-N 2.73Å; A273-A276 PolarHBondContact O-N 3.28Å; I274-A276 VanDerWaalsContact C-N 3.31Å; I274-A276 PolarHBondContact O-N 2.99Å; A276-K278 VanDerWaalsContact O-CE 3.28Å; A276-K278 WeakPolarHBondContact O-CE 3.41Å
277	A	98.1	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.			trans	-53.8	138.7	-174.8	0	0	0	0	0	113.7	A273 I274 I281 R315 T381 E382	A273-A277 PolarHBondContact O-N 3.06Å; I274-A277 PolarHBondContact O-N 2.81Å; A277-I281 HydrophobicContact CB-CD1 3.89Å; A277-I281 HydrophobicContact CB-CG1 3.62Å; A277-R315 PolarHBondContact O-NE 3.02Å; A277-T381 HydrophobicContact CB-CG2 3.79Å; A277-E382 WeakPolarHBondContact CA-OE1 3.22Å
278	K	95.7	Very high	97.7	Very high	121 Å²	121	28.1 Å²	28.1	53%	0.526	15%	0.147	S	C	.	.	S	Bend	trans	-119.9	-31	-176.6	-57.1	-55.6	179.9	-168.3	0	113.6	A276 E382	A276-K278 VanDerWaalsContact O-CE 3.28Å; A276-K278 WeakPolarHBondContact O-CE 3.41Å; K278-E382 WeakPolarHBondContact CB-OE1 3.49Å; K278-E382 PolarHBondContact N-OE1 3.42Å; K278-E382 PolarHBondContact N-OE2 3.29Å
279	H	96.1	Very high	97.6	Very high	131 Å²	131	24.4 Å²	24.4	61%	0.606	13%	0.129	S	C	*	.	S	Bend	trans	-113.9	-54.4	-173.4	-62.8	-57.6	0	0	0	112	E318 E382	H279-E318 PolarHBondContact O-N 3.45Å; H279-E382 HydrophobicContact CB-CB 4.39Å; H279-E382 PolarHBondContact N-OE2 3.02Å; H279-E382 VanDerWaalsContact N-OE2 3.09Å
280	Y	97.9	Very high	97.6	Very high	12 Å²	12	24.3 Å²	24.3	5%	0.047	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.7	-178.3	65.3	-94	0	0	0	113	Y282 E318 L380 T381 E382	Y280-Y282 AromaticContact CD2-CD1 3.92Å; Y280-Y282 HydrophobicContact CD2-CD1 3.92Å; Y280-Y282 AromaticContact CD2-CD2 3.84Å; Y280-Y282 HydrophobicContact CD2-CD2 3.84Å; Y280-Y282 AromaticContact CD2-CE1 3.9Å; Y280-Y282 HydrophobicContact CD2-CE1 3.9Å; Y280-Y282 AromaticContact CD2-CE2 3.84Å; Y280-Y282 HydrophobicContact CD2-CE2 3.84Å; Y280-Y282 AromaticContact CD2-CG 3.88Å; Y280-Y282 HydrophobicContact CD2-CG 3.88Å; Y280-Y282 AromaticContact CD2-CZ 3.86Å; Y280-Y282 HydrophobicContact CE2-CD2 4.03Å; Y280-Y282 HydrophobicContact CE2-CE2 4.12Å; Y280-Y282 HydrophobicContact CE2-CG 4.4Å; Y280-Y282 HydrophobicContact CG-CD1 4.48Å; Y280-Y282 HydrophobicContact CG-CE1 4.07Å; Y280-Y282 HydrophobicContact CG-CE2 4.37Å; Y280-E318 CarbonylContact C-O 3.39Å; Y280-E318 WeakPolarHBondContact CA-O 3.33Å; Y280-L380 HydrophobicContact CE2-CD1 3.64Å; Y280-L380 HydrophobicContact CE2-CG 4.21Å; Y280-T381 VanDerWaalsContact CE2-C 3.44Å; Y280-T381 WeakPolarHBondContact CE2-O 3.41Å; Y280-T381 VanDerWaalsContact O-CA 3.27Å; Y280-T381 WeakPolarHBondContact O-CA 3.35Å; Y280-T381 PolarHBondContact OH-O 3.11Å; Y280-E382 HydrophobicContact CD1-CB 4.42Å; Y280-E382 HydrophobicContact CE1-CB 3.87Å; Y280-E382 PolarHBondContact N-OE2 2.83Å
281	I	98.8	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	112	171.6	-69.5	161.5	0	0	0	107.5	I274 A277 I283 L308 A311 V317 E318 V319 K320 M379 T381	I274-I281 HydrophobicContact CB-CD1 4.4Å; I274-I281 HydrophobicContact CG1-CD1 4.45Å; I274-I281 HydrophobicContact CG2-CD1 3.94Å; A277-I281 HydrophobicContact CB-CD1 3.89Å; A277-I281 HydrophobicContact CB-CG1 3.62Å; I281-I283 HydrophobicContact CG2-CD1 3.66Å; I281-I283 HydrophobicContact CG2-CG1 3.81Å; I281-L308 HydrophobicContact CD1-CD2 4.11Å; I281-L308 HydrophobicContact CG2-CD2 3.83Å; I281-A311 HydrophobicContact CD1-CB 3.69Å; I281-V317 HydrophobicContact CB-CG1 4.36Å; I281-V317 HydrophobicContact CD1-CG1 3.78Å; I281-V317 HydrophobicContact CG1-CG1 3.84Å; I281-E318 PolarHBondContact N-O 2.88Å; I281-V319 HydrophobicContact CB-CG2 4.23Å; I281-V319 HydrophobicContact CD1-CG2 4.39Å; I281-V319 WeakPolarHBondContact O-CA 3.38Å; I281-K320 PolarHBondContact O-N 3.24Å; I281-M379 HydrophobicContact CB-CE 4.22Å; I281-M379 HydrophobicContact CG1-CE 4.01Å; I281-M379 HydrophobicContact CG2-CE 3.36Å; I281-T381 HydrophobicContact CG1-CG2 4.08Å
282	Y	98.9	Very high	97.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.8	177	-64.2	-11.4	0	0	0	109.8	Y280 E318 K320 M379 L380 R421 F424 L425	Y280-Y282 AromaticContact CD2-CD1 3.92Å; Y280-Y282 HydrophobicContact CD2-CD1 3.92Å; Y280-Y282 AromaticContact CD2-CD2 3.84Å; Y280-Y282 HydrophobicContact CD2-CD2 3.84Å; Y280-Y282 AromaticContact CD2-CE1 3.9Å; Y280-Y282 HydrophobicContact CD2-CE1 3.9Å; Y280-Y282 AromaticContact CD2-CE2 3.84Å; Y280-Y282 HydrophobicContact CD2-CE2 3.84Å; Y280-Y282 AromaticContact CD2-CG 3.88Å; Y280-Y282 HydrophobicContact CD2-CG 3.88Å; Y280-Y282 AromaticContact CD2-CZ 3.86Å; Y280-Y282 HydrophobicContact CE2-CD2 4.03Å; Y280-Y282 HydrophobicContact CE2-CE2 4.12Å; Y280-Y282 HydrophobicContact CE2-CG 4.4Å; Y280-Y282 HydrophobicContact CG-CD1 4.48Å; Y280-Y282 HydrophobicContact CG-CE1 4.07Å; Y280-Y282 HydrophobicContact CG-CE2 4.37Å; Y282-E318 HydrophobicContact CE1-CG 4.29Å; Y282-E318 WeakPolarHBondContact CE1-OE1 3.16Å; Y282-E318 VanDerWaalsContact CZ-OE1 3.28Å; Y282-E318 PolarHBondContact OH-OE1 3.1Å; Y282-K320 CarbonylContact C-O 3.48Å; Y282-K320 WeakPolarHBondContact CA-O 3.31Å; Y282-K320 HydrophobicContact CD1-CB 3.67Å; Y282-K320 HydrophobicContact CD1-CD 4.24Å; Y282-K320 HydrophobicContact CD1-CG 4.17Å; Y282-K320 HydrophobicContact CE1-CB 4Å; Y282-K320 HydrophobicContact CE1-CD 3.75Å; Y282-K320 HydrophobicContact CE1-CG 3.97Å; Y282-K320 HydrophobicContact CG-CB 4.45Å; Y282-M379 CarbonylContact O-C 3.54Å; Y282-M379 VanDerWaalsContact O-CA 3.25Å; Y282-M379 WeakPolarHBondContact O-CA 3.26Å; Y282-L380 HydrophobicContact CD2-CD2 4.47Å; Y282-L380 PolarHBondContact N-O 2.85Å; Y282-L380 PolarHBondContact O-N 2.86Å; Y282-R421 HydrophobicContact CD2-CG 4.25Å; Y282-R421 HydrophobicContact CE2-CG 3.99Å; Y282-F424 HydrophobicContact CD1-CD1 4.48Å; Y282-F424 HydrophobicContact CD1-CE1 4.07Å; Y282-F424 AromaticContact CD2-CD1 3.41Å; Y282-F424 HydrophobicContact CD2-CD1 3.41Å; Y282-F424 VanDerWaalsContact CD2-CD1 3.41Å; Y282-F424 AromaticContact CD2-CE1 3.83Å; Y282-F424 HydrophobicContact CD2-CE1 3.83Å; Y282-F424 HydrophobicContact CD2-CG 4.06Å; Y282-F424 HydrophobicContact CE2-CD1 4.15Å; Y282-F424 HydrophobicContact CE2-CE1 4.48Å; Y282-F424 AromaticContact CG-CD1 3.61Å; Y282-F424 HydrophobicContact CG-CD1 3.61Å; Y282-F424 AromaticContact CG-CE1 3.59Å; Y282-F424 HydrophobicContact CG-CE1 3.59Å; Y282-F424 HydrophobicContact CG-CG 4.21Å; Y282-F424 HydrophobicContact CG-CZ 4.17Å; Y282-L425 HydrophobicContact CE2-CD2 4.07Å; Y282-L425 HydrophobicContact CE2-CG 4.36Å
283	I	98.9	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.3	-173.1	-62.6	159.6	0	0	0	108.9	I281 V285 L308 K320 I321 L322 M379 W392 F424	I281-I283 HydrophobicContact CG2-CD1 3.66Å; I281-I283 HydrophobicContact CG2-CG1 3.81Å; I283-V285 HydrophobicContact CG2-CB 4.43Å; I283-V285 HydrophobicContact CG2-CG1 3.69Å; I283-V285 HydrophobicContact CG2-CG2 3.98Å; I283-L308 HydrophobicContact CD1-CD1 3.79Å; I283-L308 HydrophobicContact CD1-CD2 3.82Å; I283-L308 HydrophobicContact CD1-CG 4.45Å; I283-K320 PolarHBondContact N-O 2.83Å; I283-I321 HydrophobicContact CB-CG1 4.33Å; I283-I321 HydrophobicContact CB-CG2 4.37Å; I283-I321 HydrophobicContact CD1-CD1 4.36Å; I283-I321 HydrophobicContact CD1-CG1 4.18Å; I283-I321 HydrophobicContact CG2-CG2 4.34Å; I283-I321 CarbonylContact O-C 3.56Å; I283-I321 WeakPolarHBondContact O-CA 3.45Å; I283-L322 PolarHBondContact O-N 3.2Å; I283-M379 HydrophobicContact CG1-CB 4.27Å; I283-M379 HydrophobicContact CG1-CG 3.88Å; I283-M379 HydrophobicContact CG1-SD 4.47Å; I283-W392 HydrophobicContact CB-CH2 4.3Å; I283-W392 HydrophobicContact CB-CZ3 4.36Å; I283-W392 HydrophobicContact CD1-CH2 3.81Å; I283-W392 HydrophobicContact CD1-CZ3 3.48Å; I283-W392 VanDerWaalsContact CD1-CZ3 3.48Å; I283-W392 HydrophobicContact CG1-CH2 3.67Å; I283-W392 HydrophobicContact CG1-CZ3 3.84Å; I283-W392 HydrophobicContact CG2-CD2 4.46Å; I283-W392 HydrophobicContact CG2-CE3 4.02Å; I283-W392 HydrophobicContact CG2-CH2 3.62Å; I283-W392 HydrophobicContact CG2-CZ2 4.09Å; I283-W392 HydrophobicContact CG2-CZ3 3.59Å; I283-F424 WeakPolarHBondContact O-CE2 3.28Å
284	H	98.7	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	105.1	170.9	-167.7	7	0	0	0	110.9	L322 T374 N376 K377 F378 F424 N427	H284-L322 WeakPolarHBondContact CA-O 3.45Å; H284-L322 HydrophobicContact CB-CB 4.22Å; H284-L322 VanDerWaalsContact ND1-CB 3.3Å; H284-L322 WeakPolarHBondContact ND1-CB 3.36Å; H284-L322 PolarHBondContact ND1-O 3.21Å; H284-L322 VanDerWaalsContact ND1-O 3.08Å; H284-T374 PolarHBondContact CE1-OG1 2.88Å; H284-T374 PolarHBondContact NE2-OG1 3.26Å; H284-N376 HydrophobicContact CB-CB 4.44Å; H284-N376 PolarHBondContact CD2-ND2 2.88Å; H284-N376 PolarHBondContact NE2-ND2 2.79Å; H284-N376 CarbonylContact O-C 3.6Å; H284-K377 PolarHBondContact O-N 2.81Å; H284-F378 HydrophobicContact CB-CD1 3.98Å; H284-F378 HydrophobicContact CB-CE1 3.47Å; H284-F378 VanDerWaalsContact CB-CE1 3.47Å; H284-F378 HydrophobicContact CB-CE2 4.13Å; H284-F378 HydrophobicContact CB-CZ 3.56Å; H284-F378 AromaticContact CD2-CE1 3.79Å; H284-F378 AromaticContact CG-CE1 3.95Å; H284-F378 PolarHBondContact N-O 2.94Å; H284-F378 PolarHBondContact O-N 3.49Å; H284-F424 HydrophobicContact CB-CD2 4.06Å; H284-F424 HydrophobicContact CB-CE2 4.12Å; H284-N427 PolarHBondContact CD2-ND2 3.1Å; H284-N427 PolarHBondContact NE2-ND2 3.41Å
285	V	98.3	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.9	-174.1	-65.6	0	0	0	0	110.7	I283 F288 L322 A323 N376 W392	I283-V285 HydrophobicContact CG2-CB 4.43Å; I283-V285 HydrophobicContact CG2-CG1 3.69Å; I283-V285 HydrophobicContact CG2-CG2 3.98Å; V285-F288 HydrophobicContact CG2-CB 3.9Å; V285-L322 PolarHBondContact N-O 2.83Å; V285-L322 VanDerWaalsContact O-O 3.13Å; V285-A323 VanDerWaalsContact O-CA 3.27Å; V285-A323 WeakPolarHBondContact O-CA 3.32Å; V285-N376 CarbonylContact C-O 3.5Å; V285-N376 VanDerWaalsContact CA-O 3.3Å; V285-N376 WeakPolarHBondContact CA-O 3.12Å; V285-W392 HydrophobicContact CB-CG 4.5Å; V285-W392 HydrophobicContact CG1-CD2 3.8Å; V285-W392 HydrophobicContact CG1-CG 3.9Å; V285-W392 HydrophobicContact CG1-CZ2 4.22Å
286	M	96	Very high	95.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.167	C	C	.	.	S	Bend	trans	-76.7	-60.9	171.5	178.5	-170.5	166.8	0	0	110.5	A324 L326 H327 R373 H375 N376 N391	M286-A324 HydrophobicContact CG-CB 4.04Å; M286-A324 WeakPolarHBondContact O-CA 3.29Å; M286-A324 VanDerWaalsContact O-CB 3.3Å; M286-A324 WeakPolarHBondContact O-CB 3.19Å; M286-A324 PolarHBondContact O-N 3.38Å; M286-L326 HydrophobicContact CE-CB 4.18Å; M286-L326 HydrophobicContact CE-CD1 3.74Å; M286-H327 WeakPolarHBondContact CE-CE1 3.27Å; M286-H327 WeakPolarHBondContact CE-ND1 3.12Å; M286-R373 VanDerWaalsContact CE-CZ 3.41Å; M286-H375 PolarHBondContact SD-CD2 2.85Å; M286-N376 PolarHBondContact N-O 2.8Å; M286-N376 VanDerWaalsContact N-O 3.14Å; M286-N391 WeakPolarHBondContact CB-OD1 3.33Å
287	D	93.7	Very high	95.1	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.011	19%	0.188	C	C	.	.			trans	-112.4	138	177.8	-51.5	-58.5	0	0	0	109.7	I289 H327 N391 W392	D287-I289 HydrophobicContact CB-CD1 4.27Å; D287-I289 HydrophobicContact CB-CG1 4.38Å; D287-H327 VanDerWaalsContact CG-ND1 3.25Å; D287-H327 IonicContact OD1-CG 3.54Å; D287-H327 IonicContact OD1-ND1 3.66Å; D287-H327 PolarHBondContact OD1-ND1 3.04Å; D287-H327 IonicContact OD2-CE1 3.41Å; D287-H327 IonicContact OD2-CG 2.69Å; D287-H327 IonicContact OD2-ND1 3.87Å; D287-H327 PolarHBondContact OD2-ND1 3.17Å; D287-N391 HydrophobicContact CB-CB 4.09Å; D287-N391 PolarHBondContact OD2-ND2 3Å; D287-W392 WeakPolarHBondContact O-CA 3.47Å; D287-W392 WeakPolarHBondContact O-CB 3.47Å; D287-W392 PolarHBondContact O-N 3.49Å
288	F	95.6	Very high	94.9	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.022	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-132.8	94.7	173.2	178.4	-89	0	0	0	108.1	V285 I304 L308 I321 N332 M336 L339 W392	V285-F288 HydrophobicContact CG2-CB 3.9Å; F288-I304 HydrophobicContact CE2-CG2 3.95Å; F288-L308 HydrophobicContact CE2-CD1 3.71Å; F288-L308 HydrophobicContact CZ-CD1 3.61Å; F288-I321 HydrophobicContact CE1-CD1 4.47Å; F288-I321 HydrophobicContact CE2-CD1 4.42Å; F288-I321 HydrophobicContact CZ-CD1 4.34Å; F288-N332 PolarHBondContact O-OD1 3.02Å; F288-M336 HydrophobicContact CB-CE 3.76Å; F288-M336 HydrophobicContact CD1-CE 4.35Å; F288-M336 HydrophobicContact CD1-CG 4.49Å; F288-L339 HydrophobicContact CE1-CD2 3.68Å; F288-L339 HydrophobicContact CZ-CD2 3.93Å; F288-W392 CarbonylContact C-O 3.06Å; F288-W392 WeakPolarHBondContact CA-O 3.25Å; F288-W392 HydrophobicContact CD2-CB 4.2Å; F288-W392 HydrophobicContact CD2-CD2 4.42Å; F288-W392 AromaticContact CD2-CE3 3.57Å; F288-W392 HydrophobicContact CD2-CE3 3.57Å; F288-W392 HydrophobicContact CD2-CZ3 4.33Å; F288-W392 AromaticContact CE2-CE3 3.66Å; F288-W392 HydrophobicContact CE2-CE3 3.66Å; F288-W392 HydrophobicContact CE2-CZ3 4.13Å
289	I	95.4	Very high	94.9	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	20%	0.195	C	C	.	.			trans	-135.5	119.8	-170.6	-49.1	176.8	0	0	0	108.6	D287 M291 V293 F328 N332 W392 S393	D287-I289 HydrophobicContact CB-CD1 4.27Å; D287-I289 HydrophobicContact CB-CG1 4.38Å; I289-M291 HydrophobicContact CG2-CB 3.94Å; I289-M291 HydrophobicContact CG2-CG 4.02Å; I289-M291 HydrophobicContact CG2-SD 4.06Å; I289-M291 PolarHBondContact O-N 3.09Å; I289-V293 HydrophobicContact CG2-CG1 4.09Å; I289-F328 HydrophobicContact CD1-CB 4.23Å; I289-F328 HydrophobicContact CD1-CD2 3.83Å; I289-F328 HydrophobicContact CD1-CG 4.48Å; I289-N332 HydrophobicContact CD1-CB 4.29Å; I289-N332 HydrophobicContact CG1-CB 4.08Å; I289-W392 PolarHBondContact N-O 3.49Å; I289-S393 WeakPolarHBondContact O-CA 3.43Å
290	P	97.3	Very high	94.9	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.032	19%	0.191	C	C	.	.	S	Bend	trans	-77.9	52.1	-179.2	33.5	-36.6	0	0	0	112.1	Y300 W301 P302 D305 F335	P290-Y300 HydrophobicContact CB-CE2 4.08Å; P290-Y300 HydrophobicContact CG-CE2 4.26Å; P290-Y300 WeakPolarHBondContact O-CD2 3.3Å; P290-W301 CarbonylContact C-O 3.52Å; P290-W301 VanDerWaalsContact CA-O 3.28Å; P290-W301 WeakPolarHBondContact CA-O 3.24Å; P290-W301 CarbonylContact O-C 3.59Å; P290-W301 PolarHBondContact O-N 2.89Å; P290-P302 HydrophobicContact CB-CB 4.43Å; P290-D305 HydrophobicContact CB-CB 3.84Å; P290-F335 HydrophobicContact CG-CB 3.85Å; P290-F335 HydrophobicContact CG-CD1 3.4Å; P290-F335 HydrophobicContact CG-CD2 3.96Å; P290-F335 HydrophobicContact CG-CE1 3.87Å; P290-F335 HydrophobicContact CG-CE2 4.4Å; P290-F335 HydrophobicContact CG-CG 3.46Å; P290-F335 VanDerWaalsContact CG-CG 3.46Å; P290-F335 HydrophobicContact CG-CZ 4.34Å
291	M	97.3	Very high	94.9	Very high	24 Å²	24	45.8 Å²	45.8	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.1	-174.7	-62	176.2	65.2	0	0	111.2	I289 V293 K298 S299 F335 S393 G394	I289-M291 HydrophobicContact CG2-CB 3.94Å; I289-M291 HydrophobicContact CG2-CG 4.02Å; I289-M291 HydrophobicContact CG2-SD 4.06Å; I289-M291 PolarHBondContact O-N 3.09Å; M291-V293 HydrophobicContact CB-CG1 3.62Å; M291-K298 HydrophobicContact CE-CB 3.71Å; M291-K298 HydrophobicContact CE-CD 3.9Å; M291-K298 HydrophobicContact CE-CG 4.36Å; M291-S299 CarbonylContact C-O 3.53Å; M291-S299 WeakPolarHBondContact CA-O 3.07Å; M291-S299 WeakPolarHBondContact CB-O 3.21Å; M291-F335 HydrophobicContact CG-CE2 4.04Å; M291-F335 HydrophobicContact CG-CZ 4.33Å; M291-F335 HydrophobicContact SD-CD2 4.32Å; M291-F335 HydrophobicContact SD-CE2 3.48Å; M291-F335 WeakPolarHBondContact SD-CE2 3.44Å; M291-F335 HydrophobicContact SD-CZ 4.15Å; M291-S393 WeakPolarHBondContact O-CB 3.36Å; M291-G394 PolarHBondContact O-N 2.9Å
292	I	95.8	Very high	94.8	Very high	21 Å²	21	46.9 Å²	46.9	11%	0.108	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.8	157.5	-56.8	175.4	0	0	0	106.4	Q295 K298 S299 W301 D395	I292-Q295 HydrophobicContact CG2-CG 4.05Å; I292-K298 WeakPolarHBondContact O-CA 3.49Å; I292-S299 PolarHBondContact N-O 2.85Å; I292-S299 PolarHBondContact O-N 3.5Å; I292-W301 HydrophobicContact CD1-CG 4.32Å; I292-W301 HydrophobicContact CG1-CB 3.91Å; I292-W301 HydrophobicContact CG1-CG 4.01Å; I292-D395 WeakPolarHBondContact CA-OD2 3.22Å; I292-D395 HydrophobicContact CG2-CB 4.47Å; I292-D395 WeakPolarHBondContact CG2-OD1 3.35Å
293	V	93.2	Very high	94.8	Very high	8 Å²	8	49.4 Å²	49.4	5%	0.048	22%	0.219	C	C	.	.			trans	-117.1	-18	-163.3	-60.9	0	0	0	0	114.6	I289 M291 F328 D395	I289-V293 HydrophobicContact CG2-CG1 4.09Å; M291-V293 HydrophobicContact CB-CG1 3.62Å; V293-F328 HydrophobicContact CB-CD2 4.05Å; V293-F328 HydrophobicContact CB-CE1 4.48Å; V293-F328 HydrophobicContact CB-CE2 3.48Å; V293-F328 VanDerWaalsContact CB-CE2 3.48Å; V293-F328 HydrophobicContact CB-CZ 3.71Å; V293-F328 HydrophobicContact CG1-CD2 4.18Å; V293-F328 HydrophobicContact CG1-CE2 4.12Å; V293-F328 HydrophobicContact CG2-CD2 4.14Å; V293-F328 HydrophobicContact CG2-CE2 3.45Å; V293-F328 VanDerWaalsContact CG2-CE2 3.45Å; V293-F328 HydrophobicContact CG2-CZ 4.06Å; V293-D395 WeakPolarHBondContact CG2-OD2 3.47Å; V293-D395 PolarHBondContact N-OD1 3.11Å; V293-D395 VanDerWaalsContact N-OD1 3.08Å; V293-D395 PolarHBondContact N-OD2 3.18Å
294	Y	89.5	Confident	94.8	Very high	87 Å²	87	49.8 Å²	49.8	34%	0.341	22%	0.221	S	C	.	.	S	Bend	trans	-102	33.3	-177.5	-59.2	-58.1	0	0	0	113	F328 D395 Y396	Y294-F328 HydrophobicContact CE1-CE2 4.14Å; Y294-F328 HydrophobicContact CE1-CZ 4.36Å; Y294-D395 WeakPolarHBondContact CA-OD1 3.2Å; Y294-D395 WeakPolarHBondContact CB-OD1 3.04Å; Y294-D395 HydrophobicContact CD2-CB 3.93Å; Y294-D395 PolarHBondContact N-OD1 3.13Å; Y294-Y396 AromaticContact CE2-CE2 3.77Å; Y294-Y396 HydrophobicContact CE2-CE2 3.77Å
295	Q	87	Confident	94.8	Very high	53 Å²	53	49.9 Å²	49.9	25%	0.248	22%	0.221	C	C	.	.	S	Bend	trans	-124.5	158.8	173.8	70.8	-176.2	27.7	0	0	110.4	E152 I292 R297 S299	E152-Q295 WeakPolarHBondContact OE2-CB 3.41Å; I292-Q295 HydrophobicContact CG2-CG 4.05Å; Q295-R297 VanDerWaalsContact C-N 3.33Å; Q295-R297 VanDerWaalsContact CG-O 3.3Å; Q295-R297 WeakPolarHBondContact CG-O 3.45Å; Q295-R297 PolarHBondContact NE2-O 3.3Å; Q295-R297 PolarHBondContact O-N 3.03Å; Q295-S299 PolarHBondContact NE2-OG 3.27Å
296	K	84.5	Confident	94.8	Very high	225 Å²	225	53.4 Å²	53.4	98%	0.978	24%	0.241	S	C	*	.	S	Bend	trans	-55.7	-44.9	-176.3	-176.5	178.7	179.5	179.9	0	112.9
297	R	90.9	Very high	94.9	Very high	218 Å²	218	53.5 Å²	53.5	82%	0.823	24%	0.241	S	C	*	.	S	Bend	trans	-109.6	98.9	175.2	-179.5	-177.5	177.9	178.1	0.3	108.8	Q295 S299	Q295-R297 VanDerWaalsContact C-N 3.33Å; Q295-R297 VanDerWaalsContact CG-O 3.3Å; Q295-R297 WeakPolarHBondContact CG-O 3.45Å; Q295-R297 PolarHBondContact NE2-O 3.3Å; Q295-R297 PolarHBondContact O-N 3.03Å; R297-S299 PolarHBondContact O-N 2.83Å
298	K	93.3	Very high	95.1	Very high	88 Å²	88	53.4 Å²	53.4	38%	0.383	24%	0.241	S	C	.	.			trans	-49.1	139.6	175.6	-57.2	177.4	-176.5	174.5	0	111.1	M291 I292 E331	M291-K298 HydrophobicContact CE-CB 3.71Å; M291-K298 HydrophobicContact CE-CD 3.9Å; M291-K298 HydrophobicContact CE-CG 4.36Å; I292-K298 WeakPolarHBondContact O-CA 3.49Å; K298-E331 IonicContact NZ-OE1 3.69Å; K298-E331 PolarHBondContact NZ-OE1 3.05Å
299	S	95.8	Very high	95.2	Very high	40 Å²	40	55.5 Å²	55.5	28%	0.28	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.3	177.1	58.5	0	0	0	0	111.4	M291 I292 Q295 R297	M291-S299 CarbonylContact C-O 3.53Å; M291-S299 WeakPolarHBondContact CA-O 3.07Å; M291-S299 WeakPolarHBondContact CB-O 3.21Å; I292-S299 PolarHBondContact N-O 2.85Å; I292-S299 PolarHBondContact O-N 3.5Å; Q295-S299 PolarHBondContact NE2-OG 3.27Å; R297-S299 PolarHBondContact O-N 2.83Å
300	Y	96.8	Very high	95.3	Very high	135 Å²	135	60.1 Å²	60.1	53%	0.529	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.2	171.9	-177	-127	0	0	0	110.2	P290 P302 F335	P290-Y300 HydrophobicContact CB-CE2 4.08Å; P290-Y300 HydrophobicContact CG-CE2 4.26Å; P290-Y300 WeakPolarHBondContact O-CD2 3.3Å; Y300-P302 HydrophobicContact CD1-CB 4.5Å; Y300-P302 HydrophobicContact CD1-CG 4Å; Y300-P302 HydrophobicContact CE1-CB 3.73Å; Y300-P302 HydrophobicContact CE1-CG 3.43Å; Y300-P302 VanDerWaalsContact CE1-CG 3.43Å; Y300-P302 HydrophobicContact CE2-CB 3.8Å; Y300-P302 HydrophobicContact CE2-CG 4.34Å; Y300-P302 WeakPolarHBondContact OH-CB 3.26Å; Y300-F335 HydrophobicContact CD2-CE1 4.24Å; Y300-F335 HydrophobicContact CD2-CZ 4.34Å; Y300-F335 AromaticContact CE2-CE1 3.87Å; Y300-F335 HydrophobicContact CE2-CE1 3.87Å; Y300-F335 HydrophobicContact CE2-CZ 4.41Å
301	W	97.6	Very high	95.3	Very high	40 Å²	40	59.9 Å²	59.9	15%	0.152	27%	0.267	C	S	.	.			trans	-148.9	84.9	-176.7	-169.4	86	0	0	0	109.8	L267 P290 I292 V303 F397	L267-W301 HydrophobicContact CD1-CH2 3.62Å; L267-W301 HydrophobicContact CD1-CZ2 4.47Å; L267-W301 HydrophobicContact CD1-CZ3 4.4Å; L267-W301 HydrophobicContact CD2-CH2 3.43Å; L267-W301 VanDerWaalsContact CD2-CH2 3.43Å; L267-W301 HydrophobicContact CD2-CZ2 3.43Å; L267-W301 VanDerWaalsContact CD2-CZ2 3.43Å; L267-W301 HydrophobicContact CG-CH2 4.15Å; P290-W301 CarbonylContact C-O 3.52Å; P290-W301 VanDerWaalsContact CA-O 3.28Å; P290-W301 WeakPolarHBondContact CA-O 3.24Å; P290-W301 CarbonylContact O-C 3.59Å; P290-W301 PolarHBondContact O-N 2.89Å; I292-W301 HydrophobicContact CD1-CG 4.32Å; I292-W301 HydrophobicContact CG1-CB 3.91Å; I292-W301 HydrophobicContact CG1-CG 4.01Å; W301-V303 HydrophobicContact CD2-CB 4.45Å; W301-V303 HydrophobicContact CD2-CG2 3.98Å; W301-V303 HydrophobicContact CE3-CB 4.38Å; W301-V303 HydrophobicContact CE3-CG2 4.4Å; W301-V303 HydrophobicContact CH2-CB 3.89Å; W301-V303 HydrophobicContact CH2-CG2 4.08Å; W301-V303 HydrophobicContact CZ2-CB 3.94Å; W301-V303 HydrophobicContact CZ2-CG2 3.6Å; W301-V303 HydrophobicContact CZ3-CB 4.1Å; W301-V303 HydrophobicContact CZ3-CG2 4.44Å; W301-V303 PolarHBondContact O-N 3.07Å; W301-F397 HydrophobicContact CH2-CB 4.19Å; W301-F397 AromaticContact CH2-CD2 3.7Å; W301-F397 HydrophobicContact CH2-CD2 3.7Å; W301-F397 HydrophobicContact CH2-CG 4.23Å; W301-F397 AromaticContact CZ3-CD2 3.92Å; W301-F397 HydrophobicContact CZ3-CD2 3.92Å; W301-F397 HydrophobicContact CZ3-CE2 4.42Å
302	P	97.6	Very high	95.2	Very high	24 Å²	24	58.8 Å²	58.8	16%	0.156	26%	0.261	C	S	.	.			trans	-96.8	28.9	-167.2	38.8	-39.4	0	0	0	114.3	P290 Y300 I304 D305 N306	P290-P302 HydrophobicContact CB-CB 4.43Å; Y300-P302 HydrophobicContact CD1-CB 4.5Å; Y300-P302 HydrophobicContact CD1-CG 4Å; Y300-P302 HydrophobicContact CE1-CB 3.73Å; Y300-P302 HydrophobicContact CE1-CG 3.43Å; Y300-P302 VanDerWaalsContact CE1-CG 3.43Å; Y300-P302 HydrophobicContact CE2-CB 3.8Å; Y300-P302 HydrophobicContact CE2-CG 4.34Å; Y300-P302 WeakPolarHBondContact OH-CB 3.26Å; P302-I304 PolarHBondContact O-N 3.11Å; P302-D305 HydrophobicContact CB-CB 4.31Å; P302-D305 PolarHBondContact O-N 3.25Å; P302-N306 WeakPolarHBondContact O-CB 3.38Å; P302-N306 VanDerWaalsContact O-CG 3.25Å; P302-N306 PolarHBondContact O-N 2.98Å
303	V	98.4	Very high	95.2	Very high	56 Å²	56	61.3 Å²	61.3	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-51.6	-170.5	179.6	0	0	0	0	111.6	L267 T271 W301 A307	L267-V303 HydrophobicContact CD1-CG1 4.2Å; L267-V303 HydrophobicContact CD2-CG1 4.02Å; L267-V303 HydrophobicContact CG-CG1 4.35Å; T271-V303 HydrophobicContact CG2-CG1 3.92Å; W301-V303 HydrophobicContact CD2-CB 4.45Å; W301-V303 HydrophobicContact CD2-CG2 3.98Å; W301-V303 HydrophobicContact CE3-CB 4.38Å; W301-V303 HydrophobicContact CE3-CG2 4.4Å; W301-V303 HydrophobicContact CH2-CB 3.89Å; W301-V303 HydrophobicContact CH2-CG2 4.08Å; W301-V303 HydrophobicContact CZ2-CB 3.94Å; W301-V303 HydrophobicContact CZ2-CG2 3.6Å; W301-V303 HydrophobicContact CZ3-CB 4.1Å; W301-V303 HydrophobicContact CZ3-CG2 4.44Å; W301-V303 PolarHBondContact O-N 3.07Å; V303-A307 PolarHBondContact O-N 2.81Å
304	I	98.6	Very high	95.2	Very high	8 Å²	8	67 Å²	67	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-71.7	-41.1	178	-59.5	175.7	0	0	0	111	L267 I270 I274 F288 P302 N306 A307 L308 W392 F397	L267-I304 HydrophobicContact CD1-CD1 3.95Å; L267-I304 HydrophobicContact CD1-CG1 3.7Å; I270-I304 HydrophobicContact CG2-CD1 4.23Å; I270-I304 HydrophobicContact CG2-CG1 4.39Å; I274-I304 HydrophobicContact CD1-CG2 3.95Å; F288-I304 HydrophobicContact CE2-CG2 3.95Å; P302-I304 PolarHBondContact O-N 3.11Å; I304-N306 PolarHBondContact O-N 3.49Å; I304-A307 WeakPolarHBondContact O-CB 3.35Å; I304-A307 PolarHBondContact O-N 2.85Å; I304-L308 HydrophobicContact CG2-CD1 4.22Å; I304-L308 HydrophobicContact CG2-CG 4.41Å; I304-L308 WeakPolarHBondContact O-CG 3.21Å; I304-L308 PolarHBondContact O-N 3.09Å; I304-W392 HydrophobicContact CD1-CB 4.41Å; I304-W392 HydrophobicContact CD1-CD2 4.11Å; I304-W392 HydrophobicContact CD1-CE3 4.03Å; I304-W392 HydrophobicContact CD1-CG 4.28Å; I304-W392 HydrophobicContact CG2-CE3 3.69Å; I304-W392 HydrophobicContact CG2-CZ3 3.65Å; I304-F397 HydrophobicContact CD1-CE2 3.64Å; I304-F397 HydrophobicContact CD1-CZ 3.82Å
305	D	98.3	Very high	95.5	Very high	2 Å²	2	66 Å²	66	1%	0.011	30%	0.3	C	S	.	.	H	α-helix	trans	-57.7	-50.2	178.2	-177.3	79.5	0	0	0	111.4	P290 P302 A307 L308 R309	P290-D305 HydrophobicContact CB-CB 3.84Å; P302-D305 HydrophobicContact CB-CB 4.31Å; P302-D305 PolarHBondContact O-N 3.25Å; D305-A307 VanDerWaalsContact C-N 3.32Å; D305-A307 PolarHBondContact O-N 2.79Å; D305-L308 PolarHBondContact O-N 3.34Å; D305-R309 VanDerWaalsContact O-CG 3.31Å; D305-R309 WeakPolarHBondContact O-CG 3.49Å; D305-R309 PolarHBondContact O-N 3.09Å; D305-R309 IonicContact OD1-NE 3.76Å; D305-R309 IonicContact OD1-NH2 3.67Å; D305-R309 IonicContact OD2-CZ 3.56Å; D305-R309 IonicContact OD2-NE 2.76Å; D305-R309 PolarHBondContact OD2-NE 3.49Å; D305-R309 IonicContact OD2-NH2 3.06Å; D305-R309 PolarHBondContact OD2-NH2 2.69Å
306	N	98.4	Very high	95.8	Very high	75 Å²	75	64.5 Å²	64.5	40%	0.401	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-40.8	175.5	-75.4	-12	0	0	0	112.2	P302 I304 L308 R309 K310	P302-N306 WeakPolarHBondContact O-CB 3.38Å; P302-N306 VanDerWaalsContact O-CG 3.25Å; P302-N306 PolarHBondContact O-N 2.98Å; I304-N306 PolarHBondContact O-N 3.49Å; N306-L308 VanDerWaalsContact C-N 3.32Å; N306-L308 PolarHBondContact O-N 3.06Å; N306-R309 PolarHBondContact O-N 2.66Å; N306-K310 WeakPolarHBondContact O-CB 3.4Å; N306-K310 WeakPolarHBondContact O-CG 3.19Å; N306-K310 PolarHBondContact O-N 3.49Å
307	A	98.6	Very high	96.4	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-41.7	178	0	0	0	0	0	111.4	I274 V303 I304 D305 A311	I274-A307 HydrophobicContact CB-CB 4.24Å; I274-A307 HydrophobicContact CD1-CB 4.1Å; I274-A307 VanDerWaalsContact CG2-C 3.48Å; I274-A307 HydrophobicContact CG2-CB 3.66Å; I274-A307 VanDerWaalsContact CG2-O 3.29Å; I274-A307 WeakPolarHBondContact CG2-O 3.49Å; V303-A307 PolarHBondContact O-N 2.81Å; I304-A307 WeakPolarHBondContact O-CB 3.35Å; I304-A307 PolarHBondContact O-N 2.85Å; D305-A307 VanDerWaalsContact C-N 3.32Å; D305-A307 PolarHBondContact O-N 2.79Å; A307-A311 PolarHBondContact O-N 3.1Å
308	L	98.3	Very high	96.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.8	-44.1	176.4	-65.9	175.7	0	0	0	112.2	I274 I281 I283 F288 I304 D305 N306 K310 A311 V312 V319 I321 L339	I274-L308 HydrophobicContact CD1-CD2 3.87Å; I274-L308 HydrophobicContact CD1-CG 4.19Å; I274-L308 HydrophobicContact CG1-CD2 4.05Å; I274-L308 HydrophobicContact CG2-CD2 4.14Å; I281-L308 HydrophobicContact CD1-CD2 4.11Å; I281-L308 HydrophobicContact CG2-CD2 3.83Å; I283-L308 HydrophobicContact CD1-CD1 3.79Å; I283-L308 HydrophobicContact CD1-CD2 3.82Å; I283-L308 HydrophobicContact CD1-CG 4.45Å; F288-L308 HydrophobicContact CE2-CD1 3.71Å; F288-L308 HydrophobicContact CZ-CD1 3.61Å; I304-L308 HydrophobicContact CG2-CD1 4.22Å; I304-L308 HydrophobicContact CG2-CG 4.41Å; I304-L308 WeakPolarHBondContact O-CG 3.21Å; I304-L308 PolarHBondContact O-N 3.09Å; D305-L308 PolarHBondContact O-N 3.34Å; N306-L308 VanDerWaalsContact C-N 3.32Å; N306-L308 PolarHBondContact O-N 3.06Å; L308-K310 VanDerWaalsContact C-N 3.29Å; L308-K310 PolarHBondContact O-N 2.9Å; L308-A311 WeakPolarHBondContact O-CB 3.32Å; L308-A311 PolarHBondContact O-N 3.22Å; L308-V312 WeakPolarHBondContact O-CG2 3.31Å; L308-V312 PolarHBondContact O-N 3.37Å; L308-V319 HydrophobicContact CD2-CG1 4.36Å; L308-I321 HydrophobicContact CD1-CD1 4.05Å; L308-L339 HydrophobicContact CD1-CD2 4.43Å
309	R	97.2	Very high	96.9	Very high	49 Å²	49	41.9 Å²	41.9	19%	0.185	21%	0.206	C	C	.	.	H	α-helix	trans	-55.9	-46.1	175.2	-67.1	-175.7	-176.4	-88.7	-2.3	111.2	D305 N306 A311 V312 V313 S338 L339 L342	D305-R309 VanDerWaalsContact O-CG 3.31Å; D305-R309 WeakPolarHBondContact O-CG 3.49Å; D305-R309 PolarHBondContact O-N 3.09Å; D305-R309 IonicContact OD1-NE 3.76Å; D305-R309 IonicContact OD1-NH2 3.67Å; D305-R309 IonicContact OD2-CZ 3.56Å; D305-R309 IonicContact OD2-NE 2.76Å; D305-R309 PolarHBondContact OD2-NE 3.49Å; D305-R309 IonicContact OD2-NH2 3.06Å; D305-R309 PolarHBondContact OD2-NH2 2.69Å; N306-R309 PolarHBondContact O-N 2.66Å; R309-A311 PolarHBondContact O-N 2.88Å; R309-V312 PolarHBondContact O-N 3.1Å; R309-V313 WeakPolarHBondContact O-CB 3.11Å; R309-V313 WeakPolarHBondContact O-CG2 3.35Å; R309-V313 PolarHBondContact O-N 3.22Å; R309-S338 PolarHBondContact NH1-O 3.41Å; R309-S338 PolarHBondContact NH2-OG 3.26Å; R309-S338 VanDerWaalsContact NH2-OG 3.16Å; R309-L339 HydrophobicContact CG-CD1 3.63Å; R309-L342 HydrophobicContact CB-CD1 3.81Å; R309-L342 HydrophobicContact CG-CD1 3.55Å
310	K	96.7	Very high	97.1	Very high	102 Å²	102	41.7 Å²	41.7	44%	0.443	20%	0.201	S	C	.	.	H	α-helix	trans	-63	-38.9	175.2	-72.6	-171.4	172.9	-167.6	0	112.8	N306 L308 E314	N306-K310 WeakPolarHBondContact O-CB 3.4Å; N306-K310 WeakPolarHBondContact O-CG 3.19Å; N306-K310 PolarHBondContact O-N 3.49Å; L308-K310 VanDerWaalsContact C-N 3.29Å; L308-K310 PolarHBondContact O-N 2.9Å; K310-E314 WeakPolarHBondContact CG-OE1 3.45Å; K310-E314 VanDerWaalsContact O-CB 3.27Å; K310-E314 WeakPolarHBondContact O-CB 3.44Å; K310-E314 PolarHBondContact O-N 3.42Å
311	A	97	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-45.2	177.3	0	0	0	0	0	112.5	I274 I281 A307 L308 R309 R315 G316 V317	I274-A311 HydrophobicContact CG2-CB 4.16Å; I281-A311 HydrophobicContact CD1-CB 3.69Å; A307-A311 PolarHBondContact O-N 3.1Å; L308-A311 WeakPolarHBondContact O-CB 3.32Å; L308-A311 PolarHBondContact O-N 3.22Å; R309-A311 PolarHBondContact O-N 2.88Å; A311-R315 VanDerWaalsContact CA-NH2 3.28Å; A311-R315 WeakPolarHBondContact O-CB 3.08Å; A311-R315 PolarHBondContact O-N 3.16Å; A311-G316 PolarHBondContact O-N 3.06Å; A311-V317 HydrophobicContact CB-CB 4.18Å; A311-V317 HydrophobicContact CB-CG2 4.3Å; A311-V317 WeakPolarHBondContact O-CB 3.48Å; A311-V317 WeakPolarHBondContact O-CG2 3.28Å; A311-V317 PolarHBondContact O-N 2.85Å
312	V	96.4	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-53.4	177.8	178	0	0	0	0	110.5	L308 R309 G316 V319 L342 A346 I351	L308-V312 WeakPolarHBondContact O-CG2 3.31Å; L308-V312 PolarHBondContact O-N 3.37Å; R309-V312 PolarHBondContact O-N 3.1Å; V312-G316 WeakPolarHBondContact O-CA 3.43Å; V312-G316 PolarHBondContact O-N 2.98Å; V312-G316 VanDerWaalsContact O-N 3.11Å; V312-V319 HydrophobicContact CG2-CB 4.19Å; V312-V319 HydrophobicContact CG2-CG2 3.47Å; V312-V319 VanDerWaalsContact CG2-CG2 3.47Å; V312-L342 HydrophobicContact CG1-CB 4.45Å; V312-A346 HydrophobicContact CG1-CB 4.45Å; V312-A346 WeakPolarHBondContact O-CB 3.37Å; V312-I351 HydrophobicContact CG2-CB 4.13Å; V312-I351 HydrophobicContact CG2-CD1 4.3Å
313	V	94.9	Very high	97.2	Very high	74 Å²	74	32.2 Å²	32.2	45%	0.448	16%	0.161	S	C	.	.	H	α-helix	trans	-75.3	-45.2	-169.1	175.8	0	0	0	0	112.9	R309 L342	R309-V313 WeakPolarHBondContact O-CB 3.11Å; R309-V313 WeakPolarHBondContact O-CG2 3.35Å; R309-V313 PolarHBondContact O-N 3.22Å; V313-L342 HydrophobicContact CG2-CD1 4.26Å; V313-L342 HydrophobicContact CG2-CD2 4.45Å
314	E	94.2	Very high	97	Very high	129 Å²	129	29.6 Å²	29.6	60%	0.603	15%	0.145	S	C	*	.	H	α-helix	trans	-90.3	-21.3	-171.5	-57.2	173.4	179.5	0	0	112.8	K310	K310-E314 WeakPolarHBondContact CG-OE1 3.45Å; K310-E314 VanDerWaalsContact O-CB 3.27Å; K310-E314 WeakPolarHBondContact O-CB 3.44Å; K310-E314 PolarHBondContact O-N 3.42Å
315	R	94.6	Very high	96.6	Very high	66 Å²	66	29.2 Å²	29.2	25%	0.249	14%	0.143	C	C	.	.	H	α-helix	trans	-126.6	-4.5	-172.5	-63.4	-169.7	-59.5	-68.2	5.5	114.6	I274 A277 A311 V317	I274-R315 PolarHBondContact O-NH2 3.4Å; A277-R315 PolarHBondContact O-NE 3.02Å; A311-R315 VanDerWaalsContact CA-NH2 3.28Å; A311-R315 WeakPolarHBondContact O-CB 3.08Å; A311-R315 PolarHBondContact O-N 3.16Å; R315-V317 VanDerWaalsContact C-N 3.3Å; R315-V317 HydrophobicContact CB-CG2 3.91Å; R315-V317 PolarHBondContact O-N 3.19Å
316	G	94.5	Very high	95.9	Very high	20 Å²	20	29.8 Å²	29.8	21%	0.206	15%	0.146	C	C	.	.			trans	66	30.8	178.6	0	0	0	0	0	113.7	A311 V312 G349	A311-G316 PolarHBondContact O-N 3.06Å; V312-G316 WeakPolarHBondContact O-CA 3.43Å; V312-G316 PolarHBondContact O-N 2.98Å; V312-G316 VanDerWaalsContact O-N 3.11Å; G316-G349 VanDerWaalsContact C-CA 3.49Å
317	V	96.5	Very high	95.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.			trans	-77.4	137.5	-178.3	178.5	0	0	0	0	110.9	I281 A311 R315 V319 T350	I281-V317 HydrophobicContact CB-CG1 4.36Å; I281-V317 HydrophobicContact CD1-CG1 3.78Å; I281-V317 HydrophobicContact CG1-CG1 3.84Å; A311-V317 HydrophobicContact CB-CB 4.18Å; A311-V317 HydrophobicContact CB-CG2 4.3Å; A311-V317 WeakPolarHBondContact O-CB 3.48Å; A311-V317 WeakPolarHBondContact O-CG2 3.28Å; A311-V317 PolarHBondContact O-N 2.85Å; R315-V317 VanDerWaalsContact C-N 3.3Å; R315-V317 HydrophobicContact CB-CG2 3.91Å; R315-V317 PolarHBondContact O-N 3.19Å; V317-V319 HydrophobicContact CG1-CG2 4.49Å; V317-T350 PolarHBondContact O-N 3.36Å
318	E	97.1	Very high	94.6	Very high	56 Å²	56	29.7 Å²	29.7	26%	0.262	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.6	169.1	176.7	-174	133.7	0	0	110.3	H279 Y280 I281 Y282 K320	H279-E318 PolarHBondContact O-N 3.45Å; Y280-E318 CarbonylContact C-O 3.39Å; Y280-E318 WeakPolarHBondContact CA-O 3.33Å; I281-E318 PolarHBondContact N-O 2.88Å; Y282-E318 HydrophobicContact CE1-CG 4.29Å; Y282-E318 WeakPolarHBondContact CE1-OE1 3.16Å; Y282-E318 VanDerWaalsContact CZ-OE1 3.28Å; Y282-E318 PolarHBondContact OH-OE1 3.1Å; E318-K320 VanDerWaalsContact OE1-CE 3.25Å; E318-K320 WeakPolarHBondContact OE1-CE 3.31Å; E318-K320 IonicContact OE1-NZ 3.45Å; E318-K320 PolarHBondContact OE1-NZ 3.13Å
319	V	98.3	Very high	94.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.6	176.6	-178.3	0	0	0	0	110.6	I281 L308 V312 V317 I321 T350 I351 E352	I281-V319 HydrophobicContact CB-CG2 4.23Å; I281-V319 HydrophobicContact CD1-CG2 4.39Å; I281-V319 WeakPolarHBondContact O-CA 3.38Å; L308-V319 HydrophobicContact CD2-CG1 4.36Å; V312-V319 HydrophobicContact CG2-CB 4.19Å; V312-V319 HydrophobicContact CG2-CG2 3.47Å; V312-V319 VanDerWaalsContact CG2-CG2 3.47Å; V317-V319 HydrophobicContact CG1-CG2 4.49Å; V319-I321 HydrophobicContact CG1-CD1 4.19Å; V319-I321 HydrophobicContact CG1-CG1 3.92Å; V319-T350 PolarHBondContact N-O 2.91Å; V319-I351 HydrophobicContact CB-CB 4.14Å; V319-I351 HydrophobicContact CB-CD1 3.87Å; V319-I351 HydrophobicContact CB-CG1 3.92Å; V319-I351 HydrophobicContact CG1-CD1 3.71Å; V319-I351 HydrophobicContact CG1-CG1 4.01Å; V319-I351 HydrophobicContact CG2-CD1 4.48Å; V319-I351 VanDerWaalsContact O-CA 3.31Å; V319-I351 WeakPolarHBondContact O-CA 3.23Å; V319-E352 PolarHBondContact O-N 3.23Å
320	K	98.7	Very high	93.7	Very high	37 Å²	37	34.8 Å²	34.8	16%	0.161	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.1	171.1	-72.3	179.3	171.1	141.4	0	110.7	I281 Y282 I283 E318 E352 F424 W428	I281-K320 PolarHBondContact O-N 3.24Å; Y282-K320 CarbonylContact C-O 3.48Å; Y282-K320 WeakPolarHBondContact CA-O 3.31Å; Y282-K320 HydrophobicContact CD1-CB 3.67Å; Y282-K320 HydrophobicContact CD1-CD 4.24Å; Y282-K320 HydrophobicContact CD1-CG 4.17Å; Y282-K320 HydrophobicContact CE1-CB 4Å; Y282-K320 HydrophobicContact CE1-CD 3.75Å; Y282-K320 HydrophobicContact CE1-CG 3.97Å; Y282-K320 HydrophobicContact CG-CB 4.45Å; I283-K320 PolarHBondContact N-O 2.83Å; E318-K320 VanDerWaalsContact OE1-CE 3.25Å; E318-K320 WeakPolarHBondContact OE1-CE 3.31Å; E318-K320 IonicContact OE1-NZ 3.45Å; E318-K320 PolarHBondContact OE1-NZ 3.13Å; K320-E352 WeakPolarHBondContact CA-O 3.47Å; K320-F424 HydrophobicContact CB-CE1 3.68Å; K320-F424 HydrophobicContact CB-CZ 3.67Å; K320-F424 HydrophobicContact CD-CE1 4.27Å; K320-F424 WeakPolarHBondContact O-CZ 3.24Å; K320-W428 HydrophobicContact CB-CE3 4.07Å; K320-W428 HydrophobicContact CB-CH2 3.76Å; K320-W428 HydrophobicContact CB-CZ2 4.14Å; K320-W428 HydrophobicContact CB-CZ3 3.71Å; K320-W428 HydrophobicContact CD-CD2 4.09Å; K320-W428 HydrophobicContact CD-CE3 4.48Å; K320-W428 HydrophobicContact CD-CH2 4.29Å; K320-W428 HydrophobicContact CD-CZ2 3.79Å; K320-W428 HydrophobicContact CG-CH2 3.84Å; K320-W428 HydrophobicContact CG-CZ2 3.76Å; K320-W428 HydrophobicContact CG-CZ3 4.27Å
321	I	98.7	Very high	93.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.6	-178.5	-50.7	-179.3	0	0	0	110.4	I283 F288 L308 V319 L339 E352 I353 K354	I283-I321 HydrophobicContact CB-CG1 4.33Å; I283-I321 HydrophobicContact CB-CG2 4.37Å; I283-I321 HydrophobicContact CD1-CD1 4.36Å; I283-I321 HydrophobicContact CD1-CG1 4.18Å; I283-I321 HydrophobicContact CG2-CG2 4.34Å; I283-I321 CarbonylContact O-C 3.56Å; I283-I321 WeakPolarHBondContact O-CA 3.45Å; F288-I321 HydrophobicContact CE1-CD1 4.47Å; F288-I321 HydrophobicContact CE2-CD1 4.42Å; F288-I321 HydrophobicContact CZ-CD1 4.34Å; L308-I321 HydrophobicContact CD1-CD1 4.05Å; V319-I321 HydrophobicContact CG1-CD1 4.19Å; V319-I321 HydrophobicContact CG1-CG1 3.92Å; I321-L339 HydrophobicContact CD1-CD2 3.94Å; I321-E352 PolarHBondContact N-O 3.4Å; I321-I353 HydrophobicContact CB-CG1 4.13Å; I321-I353 HydrophobicContact CB-CG2 4.24Å; I321-I353 HydrophobicContact CD1-CD1 4.25Å; I321-I353 HydrophobicContact CD1-CG1 4.3Å; I321-I353 HydrophobicContact CG1-CG1 4.41Å; I321-I353 WeakPolarHBondContact O-CA 3.33Å; I321-K354 PolarHBondContact O-N 2.99Å
322	L	98.4	Very high	93.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.5	164.2	-77.5	165.9	0	0	0	109.8	I283 H284 V285 K354 F356 F424 N427 W428 A433	I283-L322 PolarHBondContact O-N 3.2Å; H284-L322 WeakPolarHBondContact CA-O 3.45Å; H284-L322 HydrophobicContact CB-CB 4.22Å; H284-L322 VanDerWaalsContact ND1-CB 3.3Å; H284-L322 WeakPolarHBondContact ND1-CB 3.36Å; H284-L322 PolarHBondContact ND1-O 3.21Å; H284-L322 VanDerWaalsContact ND1-O 3.08Å; V285-L322 PolarHBondContact N-O 2.83Å; V285-L322 VanDerWaalsContact O-O 3.13Å; L322-K354 WeakPolarHBondContact CA-O 3.07Å; L322-K354 HydrophobicContact CD2-CB 3.63Å; L322-F356 HydrophobicContact CD2-CB 4.28Å; L322-F356 HydrophobicContact CD2-CD2 4.36Å; L322-F424 HydrophobicContact CB-CE2 4.42Å; L322-F424 HydrophobicContact CD1-CD2 4.4Å; L322-F424 HydrophobicContact CD1-CE2 3.99Å; L322-F424 HydrophobicContact CD1-CZ 4.27Å; L322-F424 HydrophobicContact CG-CE2 4.28Å; L322-F424 HydrophobicContact CG-CZ 4.37Å; L322-N427 HydrophobicContact CD1-CB 3.81Å; L322-W428 HydrophobicContact CD1-CB 4.29Å; L322-W428 HydrophobicContact CD1-CE3 4.04Å; L322-W428 HydrophobicContact CD2-CE3 3.93Å; L322-W428 HydrophobicContact CD2-CZ3 4.23Å; L322-W428 HydrophobicContact CG-CE3 3.6Å; L322-W428 HydrophobicContact CG-CZ3 3.98Å; L322-A433 HydrophobicContact CD2-CB 3.79Å
323	A	97.7	Very high	93	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	163.5	177.6	0	0	0	0	0	112.3	V285 M336 K354 I355 F356	V285-A323 VanDerWaalsContact O-CA 3.27Å; V285-A323 WeakPolarHBondContact O-CA 3.32Å; A323-M336 HydrophobicContact CB-CE 3.3Å; A323-M336 HydrophobicContact CB-SD 4.33Å; A323-K354 PolarHBondContact N-O 3.49Å; A323-I355 HydrophobicContact CB-CD1 4.34Å; A323-I355 CarbonylContact O-C 3.59Å; A323-I355 WeakPolarHBondContact O-CA 3.33Å; A323-F356 PolarHBondContact O-N 2.93Å
324	A	94.5	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.			trans	-87.5	162.6	155.3	0	0	0	0	0	109.5	M286 L326 T374	M286-A324 HydrophobicContact CG-CB 4.04Å; M286-A324 WeakPolarHBondContact O-CA 3.29Å; M286-A324 VanDerWaalsContact O-CB 3.3Å; M286-A324 WeakPolarHBondContact O-CB 3.19Å; M286-A324 PolarHBondContact O-N 3.38Å; A324-L326 HydrophobicContact CB-CD1 3.85Å; A324-L326 HydrophobicContact CB-CG 4.21Å; A324-T374 HydrophobicContact CB-CG2 3.72Å
325	A	89	Confident	93	Very high	1 Å²	1	30 Å²	30	1%	0.008	14%	0.141	C	C	.	.			trans	-120.7	73.9	172.8	0	0	0	0	0	109.5	V329 L333 I355 Y439 E454	A325-V329 HydrophobicContact CB-CG1 4.46Å; A325-L333 HydrophobicContact CB-CD2 4.36Å; A325-I355 HydrophobicContact CB-CD1 4.32Å; A325-I355 HydrophobicContact CB-CG1 4.46Å; A325-I355 HydrophobicContact CB-CG2 3.66Å; A325-Y439 HydrophobicContact CB-CD1 4.43Å; A325-Y439 HydrophobicContact CB-CE1 3.62Å; A325-Y439 HydrophobicContact CB-CE2 4.22Å; A325-Y439 VanDerWaalsContact CB-CZ 3.48Å; A325-Y439 WeakPolarHBondContact CB-OH 3.29Å; A325-E454 VanDerWaalsContact O-CB 3.3Å; A325-E454 WeakPolarHBondContact O-CB 3.19Å
326	L	84.9	Confident	93.1	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.073	13%	0.129	C	C	.	.			trans	-122.7	-49	-169.9	-76.4	167	0	0	0	114.5	M286 A324 V329 R373 E454	M286-L326 HydrophobicContact CE-CB 4.18Å; M286-L326 HydrophobicContact CE-CD1 3.74Å; A324-L326 HydrophobicContact CB-CD1 3.85Å; A324-L326 HydrophobicContact CB-CG 4.21Å; L326-V329 WeakPolarHBondContact O-CG2 3.46Å; L326-R373 HydrophobicContact CD1-CB 3.55Å; L326-R373 HydrophobicContact CD1-CG 3.99Å; L326-E454 HydrophobicContact CD2-CB 3.75Å; L326-E454 HydrophobicContact CD2-CG 4.01Å; L326-E454 HydrophobicContact CG-CB 4.3Å; L326-E454 HydrophobicContact CG-CG 4.13Å
327	H	83.2	Confident	93.1	Very high	21 Å²	21	29.4 Å²	29.4	10%	0.097	14%	0.135	C	C	.	.	S	Bend	trans	-97.2	136.2	177.3	-58.8	122.4	0	0	0	109.8	M286 D287 V329	M286-H327 WeakPolarHBondContact CE-CE1 3.27Å; M286-H327 WeakPolarHBondContact CE-ND1 3.12Å; D287-H327 VanDerWaalsContact CG-ND1 3.25Å; D287-H327 IonicContact OD1-CG 3.54Å; D287-H327 IonicContact OD1-ND1 3.66Å; D287-H327 PolarHBondContact OD1-ND1 3.04Å; D287-H327 IonicContact OD2-CE1 3.41Å; D287-H327 IonicContact OD2-CG 2.69Å; D287-H327 IonicContact OD2-ND1 3.87Å; D287-H327 PolarHBondContact OD2-ND1 3.17Å; H327-V329 PolarHBondContact O-N 2.86Å
328	F	85.9	Confident	93	Very high	54 Å²	54	32 Å²	32	24%	0.237	15%	0.153	C	C	.	.	S	Bend	trans	50	46.7	177.2	-50.5	-77.5	0	0	0	111.7	I289 V293 Y294 K330 E331 N332	I289-F328 HydrophobicContact CD1-CB 4.23Å; I289-F328 HydrophobicContact CD1-CD2 3.83Å; I289-F328 HydrophobicContact CD1-CG 4.48Å; V293-F328 HydrophobicContact CB-CD2 4.05Å; V293-F328 HydrophobicContact CB-CE1 4.48Å; V293-F328 HydrophobicContact CB-CE2 3.48Å; V293-F328 VanDerWaalsContact CB-CE2 3.48Å; V293-F328 HydrophobicContact CB-CZ 3.71Å; V293-F328 HydrophobicContact CG1-CD2 4.18Å; V293-F328 HydrophobicContact CG1-CE2 4.12Å; V293-F328 HydrophobicContact CG2-CD2 4.14Å; V293-F328 HydrophobicContact CG2-CE2 3.45Å; V293-F328 VanDerWaalsContact CG2-CE2 3.45Å; V293-F328 HydrophobicContact CG2-CZ 4.06Å; Y294-F328 HydrophobicContact CE1-CE2 4.14Å; Y294-F328 HydrophobicContact CE1-CZ 4.36Å; F328-K330 VanDerWaalsContact C-N 3.31Å; F328-K330 PolarHBondContact O-N 2.96Å; F328-E331 HydrophobicContact CB-CB 4.48Å; F328-E331 PolarHBondContact O-N 2.9Å; F328-E331 VanDerWaalsContact O-N 3.17Å; F328-N332 WeakPolarHBondContact O-CB 3.25Å; F328-N332 PolarHBondContact O-N 2.89Å
329	V	86.9	Confident	93	Very high	24 Å²	24	29.3 Å²	29.3	15%	0.145	14%	0.141	C	C	.	.	H	α-helix	trans	-51.2	-49.2	-164.1	179.1	0	0	0	0	111.6	A325 L326 H327 L333 L444	A325-V329 HydrophobicContact CB-CG1 4.46Å; L326-V329 WeakPolarHBondContact O-CG2 3.46Å; H327-V329 PolarHBondContact O-N 2.86Å; V329-L333 HydrophobicContact CG1-CD1 3.66Å; V329-L333 HydrophobicContact CG1-CG 4.39Å; V329-L333 VanDerWaalsContact O-CB 3.3Å; V329-L333 WeakPolarHBondContact O-CB 3.21Å; V329-L333 WeakPolarHBondContact O-CD1 3.43Å; V329-L333 WeakPolarHBondContact O-CG 3.47Å; V329-L333 PolarHBondContact O-N 3.31Å; V329-L444 HydrophobicContact CG1-CD2 4.5Å
330	K	89.5	Confident	92.9	Very high	132 Å²	132	30.9 Å²	30.9	57%	0.574	15%	0.148	S	C	*	.	H	α-helix	trans	-64.1	-53	-179.2	-176.5	177.3	177.6	179.7	0	111.9	F328 N332 L333 H334	F328-K330 VanDerWaalsContact C-N 3.31Å; F328-K330 PolarHBondContact O-N 2.96Å; K330-N332 VanDerWaalsContact C-N 3.35Å; K330-N332 PolarHBondContact O-N 2.95Å; K330-L333 PolarHBondContact O-N 2.97Å; K330-H334 WeakPolarHBondContact CE-NE2 3.41Å; K330-H334 WeakPolarHBondContact CG-NE2 3.37Å; K330-H334 PolarHBondContact O-CD2 2.52Å; K330-H334 PolarHBondContact O-N 2.99Å; K330-H334 VanDerWaalsContact O-N 3.09Å
331	E	90.4	Very high	92.6	Very high	68 Å²	68	33.2 Å²	33.2	32%	0.318	17%	0.165	S	C	.	.	H	α-helix	trans	-60.4	-46.6	-179.4	-60.1	99.1	129.3	0	0	111.4	K298 F328 H334 F335	K298-E331 IonicContact NZ-OE1 3.69Å; K298-E331 PolarHBondContact NZ-OE1 3.05Å; F328-E331 HydrophobicContact CB-CB 4.48Å; F328-E331 PolarHBondContact O-N 2.9Å; F328-E331 VanDerWaalsContact O-N 3.17Å; E331-H334 PolarHBondContact O-N 2.8Å; E331-F335 WeakPolarHBondContact O-CD2 3.11Å; E331-F335 PolarHBondContact O-N 3.17Å
332	N	90.9	Very high	92.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.5	-49.5	-180	-174.2	9.4	0	0	0	111.5	F288 I289 F328 K330 H334 F335 M336	F288-N332 PolarHBondContact O-OD1 3.02Å; I289-N332 HydrophobicContact CD1-CB 4.29Å; I289-N332 HydrophobicContact CG1-CB 4.08Å; F328-N332 WeakPolarHBondContact O-CB 3.25Å; F328-N332 PolarHBondContact O-N 2.89Å; K330-N332 VanDerWaalsContact C-N 3.35Å; K330-N332 PolarHBondContact O-N 2.95Å; N332-H334 VanDerWaalsContact C-N 3.3Å; N332-H334 PolarHBondContact O-N 2.74Å; N332-F335 PolarHBondContact O-N 2.95Å; N332-M336 WeakPolarHBondContact O-CG 3.36Å; N332-M336 PolarHBondContact O-N 3.47Å; N332-M336 WeakPolarHBondContact OD1-CE 3.41Å
333	L	93.5	Very high	91.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-35.8	178	-70.1	171.8	0	0	0	112.5	A325 V329 K330 Q337 I355 L436 Y439 I440 L444	A325-L333 HydrophobicContact CB-CD2 4.36Å; V329-L333 HydrophobicContact CG1-CD1 3.66Å; V329-L333 HydrophobicContact CG1-CG 4.39Å; V329-L333 VanDerWaalsContact O-CB 3.3Å; V329-L333 WeakPolarHBondContact O-CB 3.21Å; V329-L333 WeakPolarHBondContact O-CD1 3.43Å; V329-L333 WeakPolarHBondContact O-CG 3.47Å; V329-L333 PolarHBondContact O-N 3.31Å; K330-L333 PolarHBondContact O-N 2.97Å; L333-Q337 VanDerWaalsContact O-CB 3.28Å; L333-Q337 WeakPolarHBondContact O-CB 3.33Å; L333-Q337 PolarHBondContact O-N 3.24Å; L333-I355 HydrophobicContact CD2-CD1 4.01Å; L333-I355 HydrophobicContact CD2-CG1 4.21Å; L333-L436 HydrophobicContact CD2-CD1 3.52Å; L333-Y439 HydrophobicContact CD1-CD1 3.84Å; L333-Y439 HydrophobicContact CD1-CE1 3.85Å; L333-Y439 HydrophobicContact CD2-CD1 4Å; L333-Y439 HydrophobicContact CD2-CE1 4.4Å; L333-I440 HydrophobicContact CB-CD1 4.42Å; L333-I440 HydrophobicContact CB-CG1 4.21Å; L333-I440 HydrophobicContact CD1-CG1 4.37Å; L333-I440 HydrophobicContact CD2-CG1 4.43Å; L333-L444 HydrophobicContact CB-CD1 4.31Å; L333-L444 HydrophobicContact CD1-CD1 3.65Å; L333-L444 HydrophobicContact CD1-CD2 4.36Å; L333-L444 HydrophobicContact CD1-CG 3.99Å
334	H	93.8	Very high	90.7	Very high	83 Å²	83	43.1 Å²	43.1	38%	0.384	22%	0.223	S	C	.	.	H	α-helix	trans	-68	-41.2	174.9	-69.7	-44.2	0	0	0	112.7	K330 E331 N332 Q337 S338	K330-H334 WeakPolarHBondContact CE-NE2 3.41Å; K330-H334 WeakPolarHBondContact CG-NE2 3.37Å; K330-H334 PolarHBondContact O-CD2 2.52Å; K330-H334 PolarHBondContact O-N 2.99Å; K330-H334 VanDerWaalsContact O-N 3.09Å; E331-H334 PolarHBondContact O-N 2.8Å; N332-H334 VanDerWaalsContact C-N 3.3Å; N332-H334 PolarHBondContact O-N 2.74Å; H334-Q337 PolarHBondContact O-N 2.99Å; H334-S338 PolarHBondContact O-N 2.92Å
335	F	96	Very high	90	Very high	55 Å²	55	47 Å²	47	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-45.1	173.9	-79.5	-66.2	0	0	0	111.8	P290 M291 Y300 E331 N332 Q337 S338 L339	P290-F335 HydrophobicContact CG-CB 3.85Å; P290-F335 HydrophobicContact CG-CD1 3.4Å; P290-F335 HydrophobicContact CG-CD2 3.96Å; P290-F335 HydrophobicContact CG-CE1 3.87Å; P290-F335 HydrophobicContact CG-CE2 4.4Å; P290-F335 HydrophobicContact CG-CG 3.46Å; P290-F335 VanDerWaalsContact CG-CG 3.46Å; P290-F335 HydrophobicContact CG-CZ 4.34Å; M291-F335 HydrophobicContact CG-CE2 4.04Å; M291-F335 HydrophobicContact CG-CZ 4.33Å; M291-F335 HydrophobicContact SD-CD2 4.32Å; M291-F335 HydrophobicContact SD-CE2 3.48Å; M291-F335 WeakPolarHBondContact SD-CE2 3.44Å; M291-F335 HydrophobicContact SD-CZ 4.15Å; Y300-F335 HydrophobicContact CD2-CE1 4.24Å; Y300-F335 HydrophobicContact CD2-CZ 4.34Å; Y300-F335 AromaticContact CE2-CE1 3.87Å; Y300-F335 HydrophobicContact CE2-CE1 3.87Å; Y300-F335 HydrophobicContact CE2-CZ 4.41Å; E331-F335 WeakPolarHBondContact O-CD2 3.11Å; E331-F335 PolarHBondContact O-N 3.17Å; N332-F335 PolarHBondContact O-N 2.95Å; F335-Q337 VanDerWaalsContact C-N 3.28Å; F335-Q337 PolarHBondContact O-N 3.24Å; F335-S338 WeakPolarHBondContact O-CB 3.32Å; F335-S338 PolarHBondContact O-N 2.95Å; F335-L339 WeakPolarHBondContact O-CB 3.46Å; F335-L339 PolarHBondContact O-N 3.49Å
336	M	96.5	Very high	89.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-41.4	173.9	-72.4	177.2	174.4	0	0	111.5	F288 A323 N332 L339 Q340 I353 I355 L436	F288-M336 HydrophobicContact CB-CE 3.76Å; F288-M336 HydrophobicContact CD1-CE 4.35Å; F288-M336 HydrophobicContact CD1-CG 4.49Å; A323-M336 HydrophobicContact CB-CE 3.3Å; A323-M336 HydrophobicContact CB-SD 4.33Å; N332-M336 WeakPolarHBondContact O-CG 3.36Å; N332-M336 PolarHBondContact O-N 3.47Å; N332-M336 WeakPolarHBondContact OD1-CE 3.41Å; M336-L339 PolarHBondContact O-N 3.26Å; M336-Q340 WeakPolarHBondContact O-CB 3.39Å; M336-Q340 PolarHBondContact O-N 3.02Å; M336-I353 HydrophobicContact CB-CD1 3.8Å; M336-I353 HydrophobicContact CB-CG2 4.39Å; M336-I353 HydrophobicContact CG-CD1 4.13Å; M336-I353 HydrophobicContact CG-CG2 4.32Å; M336-I353 WeakPolarHBondContact O-CD1 3.05Å; M336-I353 HydrophobicContact SD-CG2 4Å; M336-I355 HydrophobicContact SD-CD1 3.99Å; M336-L436 HydrophobicContact CB-CD1 4.15Å; M336-L436 HydrophobicContact CB-CD2 3.81Å; M336-L436 HydrophobicContact SD-CD1 4.45Å
337	Q	94.9	Very high	89.1	Confident	72 Å²	72	56.8 Å²	56.8	34%	0.336	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-45.3	177.5	-171.2	174.5	38.6	0	0	111	L333 H334 F335 L339 Q340 T341 L436 I440	L333-Q337 VanDerWaalsContact O-CB 3.28Å; L333-Q337 WeakPolarHBondContact O-CB 3.33Å; L333-Q337 PolarHBondContact O-N 3.24Å; H334-Q337 PolarHBondContact O-N 2.99Å; F335-Q337 VanDerWaalsContact C-N 3.28Å; F335-Q337 PolarHBondContact O-N 3.24Å; Q337-L339 VanDerWaalsContact C-N 3.28Å; Q337-L339 PolarHBondContact O-N 2.91Å; Q337-Q340 PolarHBondContact O-N 2.77Å; Q337-T341 WeakPolarHBondContact O-CG2 3.26Å; Q337-T341 PolarHBondContact O-N 3.16Å; Q337-T341 VanDerWaalsContact O-N 3.1Å; Q337-L436 HydrophobicContact CB-CD2 4.27Å; Q337-I440 HydrophobicContact CB-CD1 4.21Å; Q337-I440 HydrophobicContact CG-CD1 4.39Å
338	S	95.4	Very high	89.2	Confident	54 Å²	54	62.2 Å²	62.2	38%	0.378	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-31.5	174.4	170.1	0	0	0	0	113.6	R309 H334 F335 T341	R309-S338 PolarHBondContact NH1-O 3.41Å; R309-S338 PolarHBondContact NH2-OG 3.26Å; R309-S338 VanDerWaalsContact NH2-OG 3.16Å; H334-S338 PolarHBondContact O-N 2.92Å; F335-S338 WeakPolarHBondContact O-CB 3.32Å; F335-S338 PolarHBondContact O-N 2.95Å; S338-T341 PolarHBondContact O-OG1 2.93Å
339	L	96.2	Very high	89.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-73.3	-44.7	174.6	179.4	57.9	0	0	0	110.4	F288 L308 R309 I321 F335 M336 Q337 T341 L342 I351 I353	F288-L339 HydrophobicContact CE1-CD2 3.68Å; F288-L339 HydrophobicContact CZ-CD2 3.93Å; L308-L339 HydrophobicContact CD1-CD2 4.43Å; R309-L339 HydrophobicContact CG-CD1 3.63Å; I321-L339 HydrophobicContact CD1-CD2 3.94Å; F335-L339 WeakPolarHBondContact O-CB 3.46Å; F335-L339 PolarHBondContact O-N 3.49Å; M336-L339 PolarHBondContact O-N 3.26Å; Q337-L339 VanDerWaalsContact C-N 3.28Å; Q337-L339 PolarHBondContact O-N 2.91Å; L339-T341 VanDerWaalsContact C-N 3.27Å; L339-T341 PolarHBondContact O-N 3.43Å; L339-L342 HydrophobicContact CD1-CD1 4.45Å; L339-L342 WeakPolarHBondContact O-CB 3.28Å; L339-L342 PolarHBondContact O-N 2.99Å; L339-I351 HydrophobicContact CD1-CD1 3.68Å; L339-I351 HydrophobicContact CD2-CD1 3.86Å; L339-I351 HydrophobicContact CG-CD1 3.46Å; L339-I351 VanDerWaalsContact CG-CD1 3.46Å; L339-I351 HydrophobicContact CG-CG1 4.46Å; L339-I353 HydrophobicContact CB-CD1 4.36Å; L339-I353 HydrophobicContact CD2-CD1 4.2Å; L339-I353 HydrophobicContact CG-CD1 4.39Å
340	Q	95.6	Very high	90	Very high	33 Å²	33	61.7 Å²	61.7	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-66.7	-22.5	-178.7	-166.8	173.4	-97	0	0	113.7	M336 Q337 L342 A343 I353 L436	M336-Q340 WeakPolarHBondContact O-CB 3.39Å; M336-Q340 PolarHBondContact O-N 3.02Å; Q337-Q340 PolarHBondContact O-N 2.77Å; Q340-L342 PolarHBondContact O-N 3.03Å; Q340-A343 WeakPolarHBondContact O-CB 3.37Å; Q340-A343 PolarHBondContact O-N 3.19Å; Q340-A343 VanDerWaalsContact O-N 3.08Å; Q340-I353 HydrophobicContact CB-CD1 4.33Å; Q340-I353 HydrophobicContact CB-CG1 4.46Å; Q340-I353 PolarHBondContact OE1-O 3.36Å; Q340-L436 HydrophobicContact CB-CD2 4.31Å
341	T	93.2	Very high	90.3	Very high	86 Å²	86	55.6 Å²	55.6	53%	0.528	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-59.4	-20.8	175.1	59.9	0	0	0	0	113.2	Q337 S338 L339 A343	Q337-T341 WeakPolarHBondContact O-CG2 3.26Å; Q337-T341 PolarHBondContact O-N 3.16Å; Q337-T341 VanDerWaalsContact O-N 3.1Å; S338-T341 PolarHBondContact O-OG1 2.93Å; L339-T341 VanDerWaalsContact C-N 3.27Å; L339-T341 PolarHBondContact O-N 3.43Å; T341-A343 PolarHBondContact O-N 2.75Å
342	L	91.5	Very high	90.6	Very high	23 Å²	23	55.8 Å²	55.8	12%	0.12	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-71.5	-6.7	177.4	-61.9	-177.7	0	0	0	114.1	R309 V312 V313 L339 Q340 N344 C345 I351	R309-L342 HydrophobicContact CB-CD1 3.81Å; R309-L342 HydrophobicContact CG-CD1 3.55Å; V312-L342 HydrophobicContact CG1-CB 4.45Å; V313-L342 HydrophobicContact CG2-CD1 4.26Å; V313-L342 HydrophobicContact CG2-CD2 4.45Å; L339-L342 HydrophobicContact CD1-CD1 4.45Å; L339-L342 WeakPolarHBondContact O-CB 3.28Å; L339-L342 PolarHBondContact O-N 2.99Å; Q340-L342 PolarHBondContact O-N 3.03Å; L342-N344 PolarHBondContact O-N 2.81Å; L342-C345 HydrophobicContact CB-CB 4.46Å; L342-C345 HydrophobicContact CD2-CB 4.05Å; L342-C345 PolarHBondContact O-N 2.7Å; L342-I351 HydrophobicContact CB-CG2 4.01Å
343	A	84.6	Confident	91	Very high	30 Å²	30	55.8 Å²	55.8	25%	0.248	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.4	-23.8	178.8	0	0	0	0	0	113.7	Q340 T341 I351	Q340-A343 WeakPolarHBondContact O-CB 3.37Å; Q340-A343 PolarHBondContact O-N 3.19Å; Q340-A343 VanDerWaalsContact O-N 3.08Å; T341-A343 PolarHBondContact O-N 2.75Å; A343-I351 HydrophobicContact CB-CG2 4.14Å; A343-I351 WeakPolarHBondContact CB-O 3.4Å
344	N	79.1	Confident	91.2	Very high	156 Å²	156	57.1 Å²	57.1	83%	0.834	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-110.9	10.2	179.1	-59.3	-33	0	0	0	113.1	L342	L342-N344 PolarHBondContact O-N 2.81Å
345	C	79.2	Confident	91.4	Very high	82 Å²	82	53.2 Å²	53.2	55%	0.554	29%	0.291	S	S	*	.	S	Bend	trans	-97.7	-8.9	-173.8	-67.9	0	0	0	0	114.2	L342	L342-C345 HydrophobicContact CB-CB 4.46Å; L342-C345 HydrophobicContact CD2-CB 4.05Å; L342-C345 PolarHBondContact O-N 2.7Å
346	A	75.2	Confident	91.4	Very high	22 Å²	22	50.6 Å²	50.6	18%	0.182	28%	0.28	C	S	.	.	S	Bend	trans	-129.7	140.9	-179.4	0	0	0	0	0	109.8	V312 N348	V312-A346 HydrophobicContact CG1-CB 4.45Å; V312-A346 WeakPolarHBondContact O-CB 3.37Å; A346-N348 PolarHBondContact O-N 2.69Å
347	E	79.5	Confident	91.3	Very high	198 Å²	198	50.8 Å²	50.8	93%	0.925	28%	0.281	S	S	*	.	S	Bend	trans	-59.2	-36	-178.4	-68.6	-177.4	168.6	0	0	112.6
348	N	86.4	Confident	91.4	Very high	134 Å²	134	47.3 Å²	47.3	72%	0.717	27%	0.265	S	S	*	.	S	Bend	trans	-118.3	-14.5	-176.9	-64.4	-33.9	0	0	0	114	A346	A346-N348 PolarHBondContact O-N 2.69Å
349	G	92.1	Very high	91.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	25%	0.254	C	S	.	.			trans	-88.6	135.6	-174.7	0	0	0	0	0	111.8	G316	G316-G349 VanDerWaalsContact C-CA 3.49Å
350	T	95.5	Very high	91.1	Very high	66 Å²	66	47.4 Å²	47.4	41%	0.405	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.9	177.2	58.9	0	0	0	0	110.4	V317 V319	V317-T350 PolarHBondContact O-N 3.36Å; V319-T350 PolarHBondContact N-O 2.91Å
351	I	96.6	Very high	90.9	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	124.8	172.5	-176.4	151.1	0	0	0	110.6	V312 V319 L339 L342 A343	V312-I351 HydrophobicContact CG2-CB 4.13Å; V312-I351 HydrophobicContact CG2-CD1 4.3Å; V319-I351 HydrophobicContact CB-CB 4.14Å; V319-I351 HydrophobicContact CB-CD1 3.87Å; V319-I351 HydrophobicContact CB-CG1 3.92Å; V319-I351 HydrophobicContact CG1-CD1 3.71Å; V319-I351 HydrophobicContact CG1-CG1 4.01Å; V319-I351 HydrophobicContact CG2-CD1 4.48Å; V319-I351 VanDerWaalsContact O-CA 3.31Å; V319-I351 WeakPolarHBondContact O-CA 3.23Å; L339-I351 HydrophobicContact CD1-CD1 3.68Å; L339-I351 HydrophobicContact CD2-CD1 3.86Å; L339-I351 HydrophobicContact CG-CD1 3.46Å; L339-I351 VanDerWaalsContact CG-CD1 3.46Å; L339-I351 HydrophobicContact CG-CG1 4.46Å; L342-I351 HydrophobicContact CB-CG2 4.01Å; A343-I351 HydrophobicContact CB-CG2 4.14Å; A343-I351 WeakPolarHBondContact CB-O 3.4Å
352	E	97.5	Very high	90.9	Very high	71 Å²	71	48.1 Å²	48.1	33%	0.332	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.4	177.2	-165.4	-175.7	158.5	0	0	109.9	V319 K320 I321 K354 W428	V319-E352 PolarHBondContact O-N 3.23Å; K320-E352 WeakPolarHBondContact CA-O 3.47Å; I321-E352 PolarHBondContact N-O 3.4Å; E352-K354 WeakPolarHBondContact OE1-CE 3.42Å; E352-W428 HydrophobicContact CB-CH2 3.92Å; E352-W428 HydrophobicContact CB-CZ2 3.89Å; E352-W428 HydrophobicContact CG-CH2 3.92Å; E352-W428 HydrophobicContact CG-CZ2 3.74Å; E352-W428 WeakPolarHBondContact O-CH2 3.39Å; E352-W428 WeakPolarHBondContact OE2-CZ2 3.31Å
353	I	98.2	Very high	91	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132	179.9	-52	-177.6	0	0	0	108.7	I321 M336 L339 Q340 L436	I321-I353 HydrophobicContact CB-CG1 4.13Å; I321-I353 HydrophobicContact CB-CG2 4.24Å; I321-I353 HydrophobicContact CD1-CD1 4.25Å; I321-I353 HydrophobicContact CD1-CG1 4.3Å; I321-I353 HydrophobicContact CG1-CG1 4.41Å; I321-I353 WeakPolarHBondContact O-CA 3.33Å; M336-I353 HydrophobicContact CB-CD1 3.8Å; M336-I353 HydrophobicContact CB-CG2 4.39Å; M336-I353 HydrophobicContact CG-CD1 4.13Å; M336-I353 HydrophobicContact CG-CG2 4.32Å; M336-I353 WeakPolarHBondContact O-CD1 3.05Å; M336-I353 HydrophobicContact SD-CG2 4Å; L339-I353 HydrophobicContact CB-CD1 4.36Å; L339-I353 HydrophobicContact CD2-CD1 4.2Å; L339-I353 HydrophobicContact CG-CD1 4.39Å; Q340-I353 HydrophobicContact CB-CD1 4.33Å; Q340-I353 HydrophobicContact CB-CG1 4.46Å; Q340-I353 PolarHBondContact OE1-O 3.36Å; I353-L436 HydrophobicContact CB-CB 4.46Å; I353-L436 HydrophobicContact CB-CD2 4.27Å; I353-L436 WeakPolarHBondContact O-CB 3.36Å; I353-L436 PolarHBondContact O-N 3.3Å
354	K	98.1	Very high	91.4	Very high	29 Å²	29	53 Å²	53	13%	0.126	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.1	174.3	-70.8	-172.3	179.9	-171.2	0	110.7	I321 L322 A323 E352 W428 A433 H434	I321-K354 PolarHBondContact O-N 2.99Å; L322-K354 WeakPolarHBondContact CA-O 3.07Å; L322-K354 HydrophobicContact CD2-CB 3.63Å; A323-K354 PolarHBondContact N-O 3.49Å; E352-K354 WeakPolarHBondContact OE1-CE 3.42Å; K354-W428 HydrophobicContact CB-CH2 4.22Å; K354-W428 HydrophobicContact CB-CZ3 4.05Å; K354-W428 HydrophobicContact CD-CD2 4.05Å; K354-W428 HydrophobicContact CD-CE3 4.25Å; K354-W428 HydrophobicContact CD-CH2 4.04Å; K354-W428 HydrophobicContact CD-CZ2 3.89Å; K354-W428 HydrophobicContact CD-CZ3 4.21Å; K354-W428 HydrophobicContact CG-CH2 3.75Å; K354-W428 HydrophobicContact CG-CZ2 4.02Å; K354-W428 HydrophobicContact CG-CZ3 4.04Å; K354-W428 PolarHBondContact NZ-O 2.87Å; K354-A433 HydrophobicContact CB-CB 4.37Å; K354-A433 HydrophobicContact CD-CB 3.92Å; K354-H434 CarbonylContact C-O 3.54Å; K354-H434 WeakPolarHBondContact CA-O 3.33Å; K354-H434 WeakPolarHBondContact CB-O 3.26Å
355	I	97.5	Very high	92	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121	173.3	-52.8	-55	0	0	0	108.6	A323 A325 L333 M336 H434 L436 Y439	A323-I355 HydrophobicContact CB-CD1 4.34Å; A323-I355 CarbonylContact O-C 3.59Å; A323-I355 WeakPolarHBondContact O-CA 3.33Å; A325-I355 HydrophobicContact CB-CD1 4.32Å; A325-I355 HydrophobicContact CB-CG1 4.46Å; A325-I355 HydrophobicContact CB-CG2 3.66Å; L333-I355 HydrophobicContact CD2-CD1 4.01Å; L333-I355 HydrophobicContact CD2-CG1 4.21Å; M336-I355 HydrophobicContact SD-CD1 3.99Å; I355-H434 PolarHBondContact N-O 3.43Å; I355-H434 PolarHBondContact O-N 2.97Å; I355-L436 HydrophobicContact CD1-CD1 4.25Å; I355-L436 HydrophobicContact CG1-CD1 4.35Å; I355-Y439 HydrophobicContact CB-CD2 3.58Å; I355-Y439 HydrophobicContact CB-CE2 4Å; I355-Y439 HydrophobicContact CB-CG 3.98Å; I355-Y439 HydrophobicContact CG1-CD1 4.24Å; I355-Y439 HydrophobicContact CG1-CD2 3.92Å; I355-Y439 HydrophobicContact CG1-CE2 4.48Å; I355-Y439 HydrophobicContact CG1-CG 3.78Å; I355-Y439 HydrophobicContact CG2-CD2 3.56Å; I355-Y439 HydrophobicContact CG2-CE2 3.41Å; I355-Y439 VanDerWaalsContact CG2-CE2 3.41Å; I355-Y439 HydrophobicContact CG2-CG 4.24Å
356	F	96.7	Very high	92.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.4	179.5	-167	-75	0	0	0	110.3	I44 F46 M183 L322 A323 V358 T374 N427 S430 Y432 A433	I44-F356 HydrophobicContact CD1-CE1 4.24Å; F46-F356 HydrophobicContact CE1-CZ 4.49Å; F46-F356 HydrophobicContact CZ-CZ 4.38Å; M183-F356 HydrophobicContact CG-CD1 4.49Å; M183-F356 HydrophobicContact CG-CE1 3.83Å; M183-F356 HydrophobicContact CG-CZ 4.31Å; M183-F356 HydrophobicContact SD-CE1 4.45Å; M183-F356 HydrophobicContact SD-CZ 4.44Å; L322-F356 HydrophobicContact CD2-CB 4.28Å; L322-F356 HydrophobicContact CD2-CD2 4.36Å; A323-F356 PolarHBondContact O-N 2.93Å; F356-V358 HydrophobicContact CD1-CG2 4.34Å; F356-V358 HydrophobicContact CE1-CG2 4.08Å; F356-T374 HydrophobicContact CB-CG2 3.93Å; F356-N427 HydrophobicContact CD2-CB 4.34Å; F356-N427 HydrophobicContact CE2-CB 3.93Å; F356-S430 WeakPolarHBondContact CE2-OG 3.5Å; F356-Y432 CarbonylContact C-O 3.48Å; F356-Y432 WeakPolarHBondContact CA-O 3.09Å; F356-Y432 HydrophobicContact CE2-CD2 4.49Å; F356-Y432 AromaticContact CZ-CD2 3.99Å; F356-Y432 HydrophobicContact CZ-CD2 3.99Å; F356-Y432 HydrophobicContact CZ-CG 4.21Å; F356-A433 HydrophobicContact CD2-CB 4.22Å
357	K	95.1	Very high	93.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.017	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-101	119.9	179.4	175.7	60	-174.1	134.2	0	110.7	Y432 C453 E454	K357-Y432 PolarHBondContact N-O 2.92Å; K357-Y432 WeakPolarHBondContact O-CB 3.32Å; K357-C453 WeakPolarHBondContact CE-O 3.39Å; K357-E454 HydrophobicContact CD-CG 3.92Å; K357-E454 WeakPolarHBondContact CD-OE1 3.24Å; K357-E454 WeakPolarHBondContact CD-OE2 3.37Å; K357-E454 WeakPolarHBondContact CE-OE2 3.44Å; K357-E454 IonicContact NZ-OE1 2.66Å; K357-E454 IonicContact NZ-OE2 3.34Å; K357-E454 PolarHBondContact NZ-OE2 3.21Å
358	V	95.5	Very high	93.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-77.8	122.6	169.4	174.8	0	0	0	0	108.9	P41 I44 M183 F356 R372	P41-V358 HydrophobicContact CB-CG1 3.7Å; P41-V358 HydrophobicContact CG-CG1 3.81Å; P41-V358 HydrophobicContact CG-CG2 4.03Å; I44-V358 HydrophobicContact CD1-CB 4.25Å; I44-V358 HydrophobicContact CD1-CG1 3.89Å; I44-V358 HydrophobicContact CD1-CG2 3.96Å; M183-V358 HydrophobicContact CG-CG2 4.21Å; F356-V358 HydrophobicContact CD1-CG2 4.34Å; F356-V358 HydrophobicContact CE1-CG2 4.08Å; V358-R372 HydrophobicContact CB-CB 4.31Å; V358-R372 HydrophobicContact CG1-CB 3.84Å
359	P	93.6	Very high	94.1	Very high	24 Å²	24	39.8 Å²	39.8	16%	0.156	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-71.9	154.7	-175	29.5	-35.7	0	0	0	112.2	I44 V361 R372 Y432	I44-P359 HydrophobicContact CG1-CG 4.15Å; P359-V361 HydrophobicContact CB-CG2 4.3Å; P359-R372 PolarHBondContact O-NE 3.4Å; P359-R372 PolarHBondContact O-NH2 3.11Å; P359-Y432 HydrophobicContact CG-CD1 4.05Å; P359-Y432 HydrophobicContact CG-CE1 3.86Å
360	S	93.1	Very high	93.9	Very high	32 Å²	32	42.4 Å²	42.4	22%	0.224	21%	0.211	C	C	.	.			trans	-116	80.9	176.9	-63.7	0	0	0	0	111.6	A369	S360-A369 WeakPolarHBondContact OG-CB 3.07Å
361	V	91.7	Very high	93.7	Very high	81 Å²	81	41.3 Å²	41.3	49%	0.491	20%	0.203	S	C	.	.			trans	-77.3	-45	-170.5	-175.7	0	0	0	0	113.4	N43 P359 R366	N43-V361 HydrophobicContact CB-CB 4.35Å; N43-V361 HydrophobicContact CB-CG2 4Å; P359-V361 HydrophobicContact CB-CG2 4.3Å; V361-R366 PolarHBondContact O-NH1 3.4Å
362	T	93	Very high	93.5	Very high	53 Å²	53	41 Å²	41	33%	0.325	20%	0.201	S	C	.	.	S	Bend	trans	-94	164.3	-175.7	68	0	0	0	0	112	F364 H365 R366	T362-F364 PolarHBondContact O-N 3.16Å; T362-H365 PolarHBondContact O-N 3.21Å; T362-H365 VanDerWaalsContact O-N 3.11Å; T362-H365 PolarHBondContact OG1-CD2 3.31Å; T362-H365 VanDerWaalsContact OG1-CD2 3.31Å; T362-H365 PolarHBondContact OG1-N 3Å; T362-R366 PolarHBondContact O-N 2.8Å
363	D	92.2	Very high	93.4	Very high	111 Å²	111	39 Å²	39	59%	0.594	19%	0.191	S	C	*	.	H	α-helix	trans	-57.8	-37.7	172.1	-75.6	-41.4	0	0	0	112	R366 K367	D363-R366 PolarHBondContact O-N 3.41Å; D363-R366 IonicContact OD1-CZ 2.63Å; D363-R366 IonicContact OD1-NE 3.04Å; D363-R366 PolarHBondContact OD1-NE 2.86Å; D363-R366 IonicContact OD1-NH2 2.99Å; D363-R366 PolarHBondContact OD1-NH2 3.18Å; D363-K367 WeakPolarHBondContact O-CG 3.22Å; D363-K367 PolarHBondContact O-N 3.15Å
364	F	92.8	Very high	93.3	Very high	43 Å²	43	39 Å²	39	19%	0.189	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-46.4	174.4	179.5	-106.5	0	0	0	111.3	L85 V89 S91 W176 T362 R366 K367 I368	L85-F364 HydrophobicContact CD1-CE2 4.1Å; L85-F364 HydrophobicContact CD1-CZ 4.16Å; L85-F364 HydrophobicContact CD2-CE2 3.99Å; V89-F364 HydrophobicContact CG2-CE2 3.88Å; V89-F364 HydrophobicContact CG2-CZ 3.83Å; S91-F364 VanDerWaalsContact CB-CE1 3.46Å; S91-F364 VanDerWaalsContact OG-CE1 3.27Å; S91-F364 WeakPolarHBondContact OG-CE1 3.16Å; W176-F364 AromaticContact CH2-CE1 3.94Å; W176-F364 HydrophobicContact CH2-CE1 3.94Å; W176-F364 AromaticContact CH2-CZ 3.47Å; W176-F364 HydrophobicContact CH2-CZ 3.47Å; W176-F364 VanDerWaalsContact CH2-CZ 3.47Å; W176-F364 HydrophobicContact CZ2-CZ 4.43Å; W176-F364 HydrophobicContact CZ3-CE1 4.07Å; W176-F364 AromaticContact CZ3-CZ 3.91Å; W176-F364 HydrophobicContact CZ3-CZ 3.91Å; T362-F364 PolarHBondContact O-N 3.16Å; F364-R366 VanDerWaalsContact C-N 3.27Å; F364-R366 PolarHBondContact O-N 3.4Å; F364-K367 WeakPolarHBondContact O-CB 3.37Å; F364-K367 PolarHBondContact O-N 3.48Å; F364-K367 VanDerWaalsContact O-N 3.08Å; F364-I368 HydrophobicContact CD1-CD1 4.4Å; F364-I368 HydrophobicContact CE1-CD1 3.83Å; F364-I368 HydrophobicContact CE1-CG1 4.31Å; F364-I368 HydrophobicContact CZ-CD1 4.32Å; F364-I368 WeakPolarHBondContact O-CG1 3.22Å; F364-I368 PolarHBondContact O-N 3.44Å
365	H	93.4	Very high	93.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-38.1	177.3	-64.8	174	0	0	0	112.3	E42 N43 T362 K367 I368 A369 R372	E42-H365 IonicContact OE2-NE2 2.95Å; N43-H365 PolarHBondContact OD1-CE1 2.69Å; T362-H365 PolarHBondContact O-N 3.21Å; T362-H365 VanDerWaalsContact O-N 3.11Å; T362-H365 PolarHBondContact OG1-CD2 3.31Å; T362-H365 VanDerWaalsContact OG1-CD2 3.31Å; T362-H365 PolarHBondContact OG1-N 3Å; H365-K367 VanDerWaalsContact C-N 3.32Å; H365-K367 PolarHBondContact O-N 2.93Å; H365-I368 CarbonylContact O-C 3.04Å; H365-I368 VanDerWaalsContact O-C 3.28Å; H365-I368 PolarHBondContact O-N 3.34Å; H365-A369 WeakPolarHBondContact O-CA 3.5Å; H365-A369 PolarHBondContact O-N 3.02Å; H365-R372 PolarHBondContact CE1-NH1 3.03Å; H365-R372 PolarHBondContact NE2-NH1 2.93Å
366	R	91.4	Very high	93.3	Very high	130 Å²	130	37.8 Å²	37.8	49%	0.491	19%	0.185	S	C	.	.	H	α-helix	trans	-61.3	-39.1	175	-74.2	-176.2	-78.7	-81.8	9.6	112.3	V361 T362 D363 F364 I368 A369	V361-R366 PolarHBondContact O-NH1 3.4Å; T362-R366 PolarHBondContact O-N 2.8Å; D363-R366 PolarHBondContact O-N 3.41Å; D363-R366 IonicContact OD1-CZ 2.63Å; D363-R366 IonicContact OD1-NE 3.04Å; D363-R366 PolarHBondContact OD1-NE 2.86Å; D363-R366 IonicContact OD1-NH2 2.99Å; D363-R366 PolarHBondContact OD1-NH2 3.18Å; F364-R366 VanDerWaalsContact C-N 3.27Å; F364-R366 PolarHBondContact O-N 3.4Å; R366-I368 VanDerWaalsContact C-N 3.27Å; R366-I368 PolarHBondContact O-N 3.26Å; R366-A369 WeakPolarHBondContact O-CB 3.37Å; R366-A369 PolarHBondContact O-N 3.46Å
367	K	90.6	Very high	93.4	Very high	166 Å²	166	38.1 Å²	38.1	72%	0.722	19%	0.187	S	C	*	.	H	α-helix	trans	-63.7	-30.8	175.9	-68.4	175.3	-178.3	-178.4	0	113.2	D363 F364 H365	D363-K367 WeakPolarHBondContact O-CG 3.22Å; D363-K367 PolarHBondContact O-N 3.15Å; F364-K367 WeakPolarHBondContact O-CB 3.37Å; F364-K367 PolarHBondContact O-N 3.48Å; F364-K367 VanDerWaalsContact O-N 3.08Å; H365-K367 VanDerWaalsContact C-N 3.32Å; H365-K367 PolarHBondContact O-N 2.93Å
368	I	91	Very high	93.6	Very high	8 Å²	8	38 Å²	38	4%	0.041	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	22.4	178.5	60.5	151.6	0	0	0	112.8	W176 Q181 F364 H365 R366 R370 D371 R372	W176-I368 HydrophobicContact CH2-CD1 3.8Å; W176-I368 HydrophobicContact CH2-CG2 4.32Å; W176-I368 HydrophobicContact CZ3-CD1 4.3Å; Q181-I368 HydrophobicContact CB-CD1 4.23Å; Q181-I368 HydrophobicContact CG-CD1 3.74Å; Q181-I368 VanDerWaalsContact OE1-CD1 3.27Å; F364-I368 HydrophobicContact CD1-CD1 4.4Å; F364-I368 HydrophobicContact CE1-CD1 3.83Å; F364-I368 HydrophobicContact CE1-CG1 4.31Å; F364-I368 HydrophobicContact CZ-CD1 4.32Å; F364-I368 WeakPolarHBondContact O-CG1 3.22Å; F364-I368 PolarHBondContact O-N 3.44Å; H365-I368 CarbonylContact O-C 3.04Å; H365-I368 VanDerWaalsContact O-C 3.28Å; H365-I368 PolarHBondContact O-N 3.34Å; R366-I368 VanDerWaalsContact C-N 3.27Å; R366-I368 PolarHBondContact O-N 3.26Å; I368-R370 PolarHBondContact O-N 2.96Å; I368-D371 HydrophobicContact CB-CB 4.48Å; I368-D371 WeakPolarHBondContact O-CB 3.44Å; I368-D371 PolarHBondContact O-N 3.15Å; I368-R372 HydrophobicContact CD1-CG 3.88Å; I368-R372 HydrophobicContact CG1-CG 4.23Å; I368-R372 PolarHBondContact O-N 3.48Å
369	A	90.9	Very high	93.7	Very high	9 Å²	9	38 Å²	38	7%	0.074	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.7	-167.9	0	0	0	0	0	113.3	S360 H365 R366 R372 V455	S360-A369 WeakPolarHBondContact OG-CB 3.07Å; H365-A369 WeakPolarHBondContact O-CA 3.5Å; H365-A369 PolarHBondContact O-N 3.02Å; R366-A369 WeakPolarHBondContact O-CB 3.37Å; R366-A369 PolarHBondContact O-N 3.46Å; A369-R372 PolarHBondContact O-N 3.31Å; A369-V455 HydrophobicContact CB-CB 4.31Å; A369-V455 HydrophobicContact CB-CG2 3.75Å
370	R	87.5	Confident	94	Very high	57 Å²	57	36.9 Å²	36.9	22%	0.215	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.9	179.4	-165.2	-99.2	178.2	120.6	4.9	113.7	I368 V455	I368-R370 PolarHBondContact O-N 2.96Å; R370-V455 HydrophobicContact CB-CB 4.32Å; R370-V455 HydrophobicContact CB-CG1 4.5Å; R370-V455 WeakPolarHBondContact CG-O 3.25Å
371	D	90.8	Very high	94.3	Very high	42 Å²	42	35.4 Å²	35.4	23%	0.225	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-19	174.7	-76.3	-31.8	0	0	0	112.4	R177 K182 I368 R373	R177-D371 VanDerWaalsContact CD-OD2 3.27Å; R177-D371 WeakPolarHBondContact CD-OD2 3.3Å; R177-D371 HydrophobicContact CG-CB 4.37Å; R177-D371 IonicContact NE-OD2 2.74Å; R177-D371 IonicContact NH1-OD2 3.77Å; R177-D371 PolarHBondContact NH1-OD2 2.88Å; K182-D371 WeakPolarHBondContact CE-O 3.45Å; K182-D371 WeakPolarHBondContact CG-O 3.14Å; I368-D371 HydrophobicContact CB-CB 4.48Å; I368-D371 WeakPolarHBondContact O-CB 3.44Å; I368-D371 PolarHBondContact O-N 3.15Å; D371-R373 PolarHBondContact O-N 3.5Å
372	R	94	Very high	94.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.			trans	-83.2	100.9	175.9	-72.3	-174.5	60	89.6	1.9	110.7	E42 Q181 V358 P359 H365 I368 A369	E42-R372 PolarHBondContact O-NH1 2.91Å; E42-R372 PolarHBondContact O-NH2 2.79Å; Q181-R372 HydrophobicContact CB-CG 4.15Å; Q181-R372 WeakPolarHBondContact O-CA 3.38Å; V358-R372 HydrophobicContact CB-CB 4.31Å; V358-R372 HydrophobicContact CG1-CB 3.84Å; P359-R372 PolarHBondContact O-NE 3.4Å; P359-R372 PolarHBondContact O-NH2 3.11Å; H365-R372 PolarHBondContact CE1-NH1 3.03Å; H365-R372 PolarHBondContact NE2-NH1 2.93Å; I368-R372 HydrophobicContact CD1-CG 3.88Å; I368-R372 HydrophobicContact CG1-CG 4.23Å; I368-R372 PolarHBondContact O-N 3.48Å; A369-R372 PolarHBondContact O-N 3.31Å
373	R	94.6	Very high	94.8	Very high	29 Å²	29	31 Å²	31	11%	0.109	14%	0.14	C	C	.	.	S	Bend	trans	-153.5	163	-170.6	61	-174.1	178.2	-158.4	11.1	113.1	K182 M183 M286 L326 D371 H375	K182-R373 WeakPolarHBondContact CA-O 3.34Å; K182-R373 HydrophobicContact CG-CG 4.24Å; M183-R373 PolarHBondContact N-O 3.15Å; M286-R373 VanDerWaalsContact CE-CZ 3.41Å; L326-R373 HydrophobicContact CD1-CB 3.55Å; L326-R373 HydrophobicContact CD1-CG 3.99Å; D371-R373 PolarHBondContact O-N 3.5Å; R373-H375 HydrophobicContact CG-CB 4.47Å; R373-H375 PolarHBondContact O-N 2.93Å
374	T	96.8	Very high	95.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-69.3	127.1	158.9	-170.5	0	0	0	0	110.2	H284 A324 F356	H284-T374 PolarHBondContact CE1-OG1 2.88Å; H284-T374 PolarHBondContact NE2-OG1 3.26Å; A324-T374 HydrophobicContact CB-CG2 3.72Å; F356-T374 HydrophobicContact CB-CG2 3.93Å
375	H	97.3	Very high	95.4	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.014	10%	0.103	C	C	.	.			trans	-127.2	17.4	-178.2	-162.7	-102.6	0	0	0	111.3	S171 N173 K182 M183 E184 M286 R373 K377	S171-H375 WeakPolarHBondContact CB-O 3.48Å; S171-H375 PolarHBondContact O-CE1 3.41Å; S171-H375 VanDerWaalsContact O-CE1 3.29Å; S171-H375 PolarHBondContact O-ND1 3.43Å; N173-H375 PolarHBondContact ND2-CE1 3.27Å; K182-H375 HydrophobicContact CB-CB 4.11Å; K182-H375 HydrophobicContact CD-CB 4.36Å; M183-H375 CarbonylContact O-C 3.49Å; M183-H375 VanDerWaalsContact O-C 3.23Å; M183-H375 WeakPolarHBondContact O-CA 3.46Å; M183-H375 WeakPolarHBondContact O-CB 3.17Å; M183-H375 PolarHBondContact O-N 2.96Å; E184-H375 VanDerWaalsContact CD-ND1 3.3Å; E184-H375 IonicContact OE1-CG 3.72Å; E184-H375 IonicContact OE1-ND1 3.93Å; E184-H375 PolarHBondContact OE1-ND1 3.17Å; E184-H375 VanDerWaalsContact OE1-ND1 3.14Å; E184-H375 WeakPolarHBondContact OE2-CB 3.21Å; E184-H375 IonicContact OE2-CE1 3.37Å; E184-H375 IonicContact OE2-CG 2.63Å; E184-H375 IonicContact OE2-ND1 3.42Å; E184-H375 PolarHBondContact OE2-ND1 2.81Å; M286-H375 PolarHBondContact SD-CD2 2.85Å; R373-H375 HydrophobicContact CG-CB 4.47Å; R373-H375 PolarHBondContact O-N 2.93Å; H375-K377 VanDerWaalsContact O-CD 3.26Å; H375-K377 WeakPolarHBondContact O-CD 3.33Å; H375-K377 VanDerWaalsContact O-CE 3.27Å; H375-K377 WeakPolarHBondContact O-CE 3.23Å; H375-K377 PolarHBondContact O-NZ 2.84Å
376	N	98.3	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	10%	0.104	C	C	.	.			trans	-62	159.7	174.9	-69.5	-30.4	0	0	0	112.6	M183 E184 L185 H284 V285 M286 F378	M183-N376 PolarHBondContact O-N 2.89Å; M183-N376 PolarHBondContact O-OD1 2.82Å; E184-N376 WeakPolarHBondContact CA-OD1 3.1Å; L185-N376 WeakPolarHBondContact CB-OD1 3.14Å; L185-N376 PolarHBondContact N-OD1 2.85Å; H284-N376 HydrophobicContact CB-CB 4.44Å; H284-N376 PolarHBondContact CD2-ND2 2.88Å; H284-N376 PolarHBondContact NE2-ND2 2.79Å; H284-N376 CarbonylContact O-C 3.6Å; V285-N376 CarbonylContact C-O 3.5Å; V285-N376 VanDerWaalsContact CA-O 3.3Å; V285-N376 WeakPolarHBondContact CA-O 3.12Å; M286-N376 PolarHBondContact N-O 2.8Å; M286-N376 VanDerWaalsContact N-O 3.14Å; N376-F378 HydrophobicContact CB-CD1 4.07Å; N376-F378 HydrophobicContact CB-CE1 4.21Å
377	K	98.4	Very high	96	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.026	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	70.8	172.4	-65.7	95.1	-175.2	80.3	0	109.3	H284 H375 G388 S390 N391	H284-K377 PolarHBondContact O-N 2.81Å; H375-K377 VanDerWaalsContact O-CD 3.26Å; H375-K377 WeakPolarHBondContact O-CD 3.33Å; H375-K377 VanDerWaalsContact O-CE 3.27Å; H375-K377 WeakPolarHBondContact O-CE 3.23Å; H375-K377 PolarHBondContact O-NZ 2.84Å; K377-G388 WeakPolarHBondContact CB-O 3.11Å; K377-G388 PolarHBondContact O-N 2.84Å; K377-S390 WeakPolarHBondContact CG-O 3.44Å; K377-N391 WeakPolarHBondContact CE-OD1 3.49Å; K377-N391 PolarHBondContact NZ-OD1 3.31Å
378	F	98.8	Very high	96.3	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.5	176.7	76.9	-95.9	0	0	0	112.8	L185 H284 N376 L380 I386 I387 M420 I423 F424	L185-F378 HydrophobicContact CB-CD1 4.31Å; L185-F378 HydrophobicContact CD1-CD1 3.88Å; L185-F378 HydrophobicContact CD1-CE1 3.8Å; L185-F378 HydrophobicContact CD1-CZ 4.5Å; L185-F378 HydrophobicContact CD2-CB 4.31Å; L185-F378 HydrophobicContact CD2-CD1 4.1Å; L185-F378 HydrophobicContact CD2-CG 4.39Å; L185-F378 HydrophobicContact CG-CD1 4.33Å; H284-F378 HydrophobicContact CB-CD1 3.98Å; H284-F378 HydrophobicContact CB-CE1 3.47Å; H284-F378 VanDerWaalsContact CB-CE1 3.47Å; H284-F378 HydrophobicContact CB-CE2 4.13Å; H284-F378 HydrophobicContact CB-CZ 3.56Å; H284-F378 AromaticContact CD2-CE1 3.79Å; H284-F378 AromaticContact CG-CE1 3.95Å; H284-F378 PolarHBondContact N-O 2.94Å; H284-F378 PolarHBondContact O-N 3.49Å; N376-F378 HydrophobicContact CB-CD1 4.07Å; N376-F378 HydrophobicContact CB-CE1 4.21Å; F378-L380 HydrophobicContact CD2-CD2 4.34Å; F378-L380 HydrophobicContact CE2-CD2 3.91Å; F378-I386 CarbonylContact C-O 3.52Å; F378-I386 WeakPolarHBondContact CA-O 3.42Å; F378-I386 VanDerWaalsContact CB-O 3.26Å; F378-I386 WeakPolarHBondContact CB-O 3.39Å; F378-I387 HydrophobicContact CB-CG1 4.24Å; F378-M420 HydrophobicContact CB-CE 4.21Å; F378-M420 HydrophobicContact CD1-CE 4.25Å; F378-M420 HydrophobicContact CD2-CE 3.47Å; F378-M420 VanDerWaalsContact CD2-CE 3.47Å; F378-M420 HydrophobicContact CE1-CE 4.49Å; F378-M420 HydrophobicContact CE2-CE 3.79Å; F378-M420 HydrophobicContact CG-CE 3.74Å; F378-M420 HydrophobicContact CZ-CE 4.28Å; F378-I423 HydrophobicContact CZ-CG2 4.4Å; F378-F424 HydrophobicContact CE2-CB 4.14Å; F378-F424 HydrophobicContact CE2-CD2 4.05Å; F378-F424 HydrophobicContact CZ-CB 4.21Å; F378-F424 HydrophobicContact CZ-CD2 4.09Å
379	M	98.8	Very high	96.7	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.8	173.4	175	-171.3	178.1	0	0	108.7	I270 A273 I274 I281 Y282 I283 T381 I386 W392	I270-M379 HydrophobicContact CG2-SD 4.29Å; A273-M379 HydrophobicContact CB-CE 4.49Å; I274-M379 HydrophobicContact CB-CE 4.36Å; I274-M379 HydrophobicContact CD1-CE 4.28Å; I274-M379 HydrophobicContact CG1-CE 3.3Å; I274-M379 HydrophobicContact CG1-SD 4.05Å; I281-M379 HydrophobicContact CB-CE 4.22Å; I281-M379 HydrophobicContact CG1-CE 4.01Å; I281-M379 HydrophobicContact CG2-CE 3.36Å; Y282-M379 CarbonylContact O-C 3.54Å; Y282-M379 VanDerWaalsContact O-CA 3.25Å; Y282-M379 WeakPolarHBondContact O-CA 3.26Å; I283-M379 HydrophobicContact CG1-CB 4.27Å; I283-M379 HydrophobicContact CG1-CG 3.88Å; I283-M379 HydrophobicContact CG1-SD 4.47Å; M379-T381 HydrophobicContact CE-CG2 3.83Å; M379-I386 HydrophobicContact CB-CB 4.46Å; M379-I386 PolarHBondContact N-O 3.18Å; M379-I386 PolarHBondContact O-N 2.88Å; M379-W392 HydrophobicContact CB-CH2 3.96Å; M379-W392 HydrophobicContact CB-CZ2 3.96Å; M379-W392 HydrophobicContact CG-CH2 4.2Å; M379-W392 HydrophobicContact SD-CH2 3.79Å; M379-W392 HydrophobicContact SD-CZ2 4.43Å
380	L	98.7	Very high	97	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156	164	74	136.5	0	0	0	112.4	Y280 Y282 F378 T384 V385 V417 M420 R421 F424	Y280-L380 HydrophobicContact CE2-CD1 3.64Å; Y280-L380 HydrophobicContact CE2-CG 4.21Å; Y282-L380 HydrophobicContact CD2-CD2 4.47Å; Y282-L380 PolarHBondContact N-O 2.85Å; Y282-L380 PolarHBondContact O-N 2.86Å; F378-L380 HydrophobicContact CD2-CD2 4.34Å; F378-L380 HydrophobicContact CE2-CD2 3.91Å; L380-T384 CarbonylContact C-O 3.49Å; L380-T384 WeakPolarHBondContact CA-O 3.34Å; L380-V385 HydrophobicContact CB-CG2 4.15Å; L380-V417 HydrophobicContact CD1-CG1 4.23Å; L380-M420 HydrophobicContact CD2-CB 4.29Å; L380-R421 HydrophobicContact CD1-CB 3.63Å; L380-R421 HydrophobicContact CD1-CG 4.17Å; L380-F424 HydrophobicContact CD2-CB 4Å; L380-F424 HydrophobicContact CD2-CG 4.46Å
381	T	98.7	Very high	97.5	Very high	1 Å²	1	7 Å²	7	1%	0.006	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-171.8	168.8	64	0	0	0	0	108.6	A277 Y280 I281 M379 D383 T384 V417	A277-T381 HydrophobicContact CB-CG2 3.79Å; Y280-T381 VanDerWaalsContact CE2-C 3.44Å; Y280-T381 WeakPolarHBondContact CE2-O 3.41Å; Y280-T381 VanDerWaalsContact O-CA 3.27Å; Y280-T381 WeakPolarHBondContact O-CA 3.35Å; Y280-T381 PolarHBondContact OH-O 3.11Å; I281-T381 HydrophobicContact CG1-CG2 4.08Å; M379-T381 HydrophobicContact CE-CG2 3.83Å; T381-D383 PolarHBondContact O-N 3.01Å; T381-D383 PolarHBondContact OG1-N 2.86Å; T381-D383 PolarHBondContact OG1-OD1 2.9Å; T381-T384 PolarHBondContact N-O 3.38Å; T381-T384 WeakPolarHBondContact OG1-CB 3.39Å; T381-T384 PolarHBondContact OG1-N 3.07Å; T381-T384 PolarHBondContact OG1-O 3.46Å; T381-V417 VanDerWaalsContact O-CG1 3.25Å; T381-V417 WeakPolarHBondContact O-CG1 3.36Å
382	E	97.4	Very high	97.7	Very high	14 Å²	14	5.5 Å²	5.5	7%	0.065	3%	0.027	C	C	.	.	S	Bend	trans	-62	-18.2	173.6	66.7	-85.8	-175.7	0	0	115.5	A277 K278 H279 Y280 R414	A277-E382 WeakPolarHBondContact CA-OE1 3.22Å; K278-E382 WeakPolarHBondContact CB-OE1 3.49Å; K278-E382 PolarHBondContact N-OE1 3.42Å; K278-E382 PolarHBondContact N-OE2 3.29Å; H279-E382 HydrophobicContact CB-CB 4.39Å; H279-E382 PolarHBondContact N-OE2 3.02Å; H279-E382 VanDerWaalsContact N-OE2 3.09Å; Y280-E382 HydrophobicContact CD1-CB 4.42Å; Y280-E382 HydrophobicContact CE1-CB 3.87Å; Y280-E382 PolarHBondContact N-OE2 2.83Å; E382-R414 WeakPolarHBondContact O-CD 3.44Å; E382-R414 PolarHBondContact O-NE 3.34Å; E382-R414 PolarHBondContact O-NH1 3.38Å
383	D	97.7	Very high	97.9	Very high	26 Å²	26	5.6 Å²	5.6	14%	0.139	3%	0.028	C	C	.	.	S	Bend	trans	-134.8	-14	-176.1	79.6	-8.2	0	0	0	114.7	T381 Q408 Q409 K410	T381-D383 PolarHBondContact O-N 3.01Å; T381-D383 PolarHBondContact OG1-N 2.86Å; T381-D383 PolarHBondContact OG1-OD1 2.9Å; D383-Q408 CarbonylContact O-C 3.52Å; D383-Q408 VanDerWaalsContact O-CA 3.23Å; D383-Q408 WeakPolarHBondContact O-CA 3.44Å; D383-Q409 WeakPolarHBondContact CA-O 3.17Å; D383-Q409 WeakPolarHBondContact CB-O 3.49Å; D383-Q409 PolarHBondContact O-N 2.96Å; D383-K410 HydrophobicContact CB-CG 4.37Å
384	T	98.7	Very high	98	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.012	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.4	-171.1	-59.6	0	0	0	0	111	A273 L380 T381 I386 V406 A407 Q408	A273-T384 HydrophobicContact CB-CG2 3.93Å; L380-T384 CarbonylContact C-O 3.49Å; L380-T384 WeakPolarHBondContact CA-O 3.34Å; T381-T384 PolarHBondContact N-O 3.38Å; T381-T384 WeakPolarHBondContact OG1-CB 3.39Å; T381-T384 PolarHBondContact OG1-N 3.07Å; T381-T384 PolarHBondContact OG1-O 3.46Å; T384-I386 HydrophobicContact CG2-CG1 4.12Å; T384-V406 HydrophobicContact CG2-CG1 4.09Å; T384-A407 CarbonylContact C-O 3.28Å; T384-A407 WeakPolarHBondContact CA-O 3.4Å; T384-Q408 HydrophobicContact CG2-CG 4.1Å; T384-Q408 PolarHBondContact OG1-NE2 2.74Å; T384-Q408 VanDerWaalsContact OG1-NE2 3.15Å
385	V	98.8	Very high	97.9	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.006	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133	171.2	170.2	0	0	0	0	109	L380 I387 V406 A407 L416 V417 M420	L380-V385 HydrophobicContact CB-CG2 4.15Å; V385-I387 HydrophobicContact CG1-CD1 4.03Å; V385-I387 HydrophobicContact CG1-CG1 3.91Å; V385-V406 WeakPolarHBondContact O-CA 3.43Å; V385-A407 PolarHBondContact N-O 3.13Å; V385-A407 PolarHBondContact O-N 3.39Å; V385-L416 HydrophobicContact CG2-CG 4.42Å; V385-V417 HydrophobicContact CG2-CB 4.44Å; V385-V417 HydrophobicContact CG2-CG2 4.05Å; V385-M420 HydrophobicContact CG1-CG 3.8Å; V385-M420 HydrophobicContact CG2-CB 4.06Å; V385-M420 HydrophobicContact CG2-CG 3.94Å
386	I	98.9	Very high	97.9	Very high	6 Å²	6	5 Å²	5	3%	0.031	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.9	174.1	-56.4	-179.7	0	0	0	108.1	I270 A273 F378 M379 T384 A404 L405 V406	I270-I386 HydrophobicContact CB-CD1 4.49Å; I270-I386 HydrophobicContact CG1-CD1 4.07Å; I270-I386 HydrophobicContact CG1-CG2 4.42Å; A273-I386 HydrophobicContact CB-CD1 3.88Å; F378-I386 CarbonylContact C-O 3.52Å; F378-I386 WeakPolarHBondContact CA-O 3.42Å; F378-I386 VanDerWaalsContact CB-O 3.26Å; F378-I386 WeakPolarHBondContact CB-O 3.39Å; M379-I386 HydrophobicContact CB-CB 4.46Å; M379-I386 PolarHBondContact N-O 3.18Å; M379-I386 PolarHBondContact O-N 2.88Å; T384-I386 HydrophobicContact CG2-CG1 4.12Å; I386-A404 HydrophobicContact CG2-CB 3.8Å; I386-L405 WeakPolarHBondContact CA-O 3.4Å; I386-V406 HydrophobicContact CG1-CG1 4.2Å; I386-V406 HydrophobicContact CG1-CG2 4.29Å; I386-V406 HydrophobicContact CG2-CG2 4.44Å
387	I	98.9	Very high	97.8	Very high	3 Å²	3	5 Å²	5	2%	0.015	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.8	176.1	-63.1	167.3	0	0	0	107.9	I36 L169 L185 F378 V385 A404 L405 M420	I36-I387 HydrophobicContact CD1-CD1 3.55Å; L169-I387 WeakPolarHBondContact CD2-O 3.47Å; L185-I387 HydrophobicContact CD2-CB 4.39Å; L185-I387 HydrophobicContact CD2-CD1 3.91Å; L185-I387 HydrophobicContact CD2-CG1 3.82Å; L185-I387 HydrophobicContact CD2-CG2 3.71Å; F378-I387 HydrophobicContact CB-CG1 4.24Å; V385-I387 HydrophobicContact CG1-CD1 4.03Å; V385-I387 HydrophobicContact CG1-CG1 3.91Å; I387-A404 CarbonylContact O-C 3.54Å; I387-A404 VanDerWaalsContact O-CA 3.22Å; I387-A404 WeakPolarHBondContact O-CA 3.28Å; I387-L405 PolarHBondContact N-O 3.31Å; I387-L405 PolarHBondContact O-N 3.29Å; I387-M420 HydrophobicContact CD1-CE 4.2Å; I387-M420 HydrophobicContact CD1-SD 4.12Å; I387-M420 HydrophobicContact CG1-CE 4.16Å
388	G	98.5	Very high	97.7	Very high	5 Å²	5	6.7 Å²	6.7	5%	0.052	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-169.1	-173.2	0	0	0	0	0	115.8	K377 I403	K377-G388 WeakPolarHBondContact CB-O 3.11Å; K377-G388 PolarHBondContact O-N 2.84Å; G388-I403 CarbonylContact C-O 3.53Å; G388-I403 WeakPolarHBondContact CA-O 3.39Å
389	T	98.4	Very high	97.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-114.6	-13.5	-179.3	71.5	0	0	0	0	113.1	H156 K158 G170 I403	H156-T389 PolarHBondContact CE1-O 2.96Å; H156-T389 PolarHBondContact ND1-O 3.13Å; H156-T389 WeakPolarHBondContact O-CB 3.27Å; H156-T389 PolarHBondContact O-OG1 3.45Å; H156-T389 VanDerWaalsContact O-OG1 3.06Å; K158-T389 HydrophobicContact CB-CG2 3.98Å; K158-T389 PolarHBondContact NZ-O 3.07Å; G170-T389 WeakPolarHBondContact O-CG2 3.4Å; T389-I403 HydrophobicContact CG2-CG2 3.54Å; T389-I403 PolarHBondContact N-O 2.77Å; T389-I403 PolarHBondContact OG1-N 3.48Å
390	S	97.6	Very high	97.3	Very high	3 Å²	3	7.5 Å²	7.5	2%	0.021	4%	0.041	C	C	.	.			trans	-88.5	129	-168.9	-55.7	0	0	0	0	113.2	D266 K377 G402	D266-S390 PolarHBondContact OD2-OG 3.28Å; K377-S390 WeakPolarHBondContact CG-O 3.44Å; S390-G402 WeakPolarHBondContact OG-CA 3.38Å
391	N	96.7	Very high	97.2	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.011	4%	0.041	C	C	.	.			trans	-70.6	163.4	162.8	-60.7	-39.1	0	0	0	109.3	M286 D287 K377 S393 Y396	M286-N391 WeakPolarHBondContact CB-OD1 3.33Å; D287-N391 HydrophobicContact CB-CB 4.09Å; D287-N391 PolarHBondContact OD2-ND2 3Å; K377-N391 WeakPolarHBondContact CE-OD1 3.49Å; K377-N391 PolarHBondContact NZ-OD1 3.31Å; N391-S393 PolarHBondContact O-N 3.46Å; N391-Y396 HydrophobicContact CB-CD2 3.8Å; N391-Y396 HydrophobicContact CB-CE1 4.36Å; N391-Y396 HydrophobicContact CB-CE2 3.53Å; N391-Y396 HydrophobicContact CB-CG 4.31Å; N391-Y396 PolarHBondContact ND2-OH 2.95Å; N391-Y396 WeakPolarHBondContact O-CB 3.33Å; N391-Y396 WeakPolarHBondContact O-CD2 3.5Å
392	W	97	Very high	97.1	Very high	12 Å²	12	7.4 Å²	7.4	5%	0.045	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	-100.2	71.2	-173.3	-70.1	17.9	0	0	0	110.9	I270 I283 V285 D287 F288 I289 I304 M379 F397	I270-W392 HydrophobicContact CD1-CZ2 4.13Å; I270-W392 HydrophobicContact CG1-CZ2 4.42Å; I270-W392 HydrophobicContact CG2-CH2 3.93Å; I270-W392 HydrophobicContact CG2-CZ2 4.11Å; I270-W392 HydrophobicContact CG2-CZ3 4.4Å; I283-W392 HydrophobicContact CB-CH2 4.3Å; I283-W392 HydrophobicContact CB-CZ3 4.36Å; I283-W392 HydrophobicContact CD1-CH2 3.81Å; I283-W392 HydrophobicContact CD1-CZ3 3.48Å; I283-W392 VanDerWaalsContact CD1-CZ3 3.48Å; I283-W392 HydrophobicContact CG1-CH2 3.67Å; I283-W392 HydrophobicContact CG1-CZ3 3.84Å; I283-W392 HydrophobicContact CG2-CD2 4.46Å; I283-W392 HydrophobicContact CG2-CE3 4.02Å; I283-W392 HydrophobicContact CG2-CH2 3.62Å; I283-W392 HydrophobicContact CG2-CZ2 4.09Å; I283-W392 HydrophobicContact CG2-CZ3 3.59Å; V285-W392 HydrophobicContact CB-CG 4.5Å; V285-W392 HydrophobicContact CG1-CD2 3.8Å; V285-W392 HydrophobicContact CG1-CG 3.9Å; V285-W392 HydrophobicContact CG1-CZ2 4.22Å; D287-W392 WeakPolarHBondContact O-CA 3.47Å; D287-W392 WeakPolarHBondContact O-CB 3.47Å; D287-W392 PolarHBondContact O-N 3.49Å; F288-W392 CarbonylContact C-O 3.06Å; F288-W392 WeakPolarHBondContact CA-O 3.25Å; F288-W392 HydrophobicContact CD2-CB 4.2Å; F288-W392 HydrophobicContact CD2-CD2 4.42Å; F288-W392 AromaticContact CD2-CE3 3.57Å; F288-W392 HydrophobicContact CD2-CE3 3.57Å; F288-W392 HydrophobicContact CD2-CZ3 4.33Å; F288-W392 AromaticContact CE2-CE3 3.66Å; F288-W392 HydrophobicContact CE2-CE3 3.66Å; F288-W392 HydrophobicContact CE2-CZ3 4.13Å; I289-W392 PolarHBondContact N-O 3.49Å; I304-W392 HydrophobicContact CD1-CB 4.41Å; I304-W392 HydrophobicContact CD1-CD2 4.11Å; I304-W392 HydrophobicContact CD1-CE3 4.03Å; I304-W392 HydrophobicContact CD1-CG 4.28Å; I304-W392 HydrophobicContact CG2-CE3 3.69Å; I304-W392 HydrophobicContact CG2-CZ3 3.65Å; M379-W392 HydrophobicContact CB-CH2 3.96Å; M379-W392 HydrophobicContact CB-CZ2 3.96Å; M379-W392 HydrophobicContact CG-CH2 4.2Å; M379-W392 HydrophobicContact SD-CH2 3.79Å; M379-W392 HydrophobicContact SD-CZ2 4.43Å; W392-F397 HydrophobicContact CG-CZ 4.49Å
393	S	96.3	Very high	97.1	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.014	4%	0.038	C	C	.	.	S	Bend	trans	-129.7	159.8	161.7	78.1	0	0	0	0	109.2	I289 M291 N391 D395 Y396 F397	I289-S393 WeakPolarHBondContact O-CA 3.43Å; M291-S393 WeakPolarHBondContact O-CB 3.36Å; N391-S393 PolarHBondContact O-N 3.46Å; S393-D395 PolarHBondContact O-N 2.86Å; S393-D395 VanDerWaalsContact O-N 3.14Å; S393-D395 PolarHBondContact OG-OD2 2.9Å; S393-Y396 PolarHBondContact O-N 3.06Å; S393-Y396 VanDerWaalsContact O-N 3.14Å; S393-Y396 WeakPolarHBondContact OG-CD2 3.37Å; S393-F397 VanDerWaalsContact O-CD2 3.3Å; S393-F397 WeakPolarHBondContact O-CD2 3.42Å
394	G	97.1	Very high	97.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.1	-172.6	0	0	0	0	0	114.1	M291 Y396 F397 T398	M291-G394 PolarHBondContact O-N 2.9Å; G394-Y396 VanDerWaalsContact C-N 3.28Å; G394-Y396 PolarHBondContact O-N 3.48Å; G394-F397 PolarHBondContact O-N 2.85Å; G394-F397 VanDerWaalsContact O-N 3.15Å; G394-T398 WeakPolarHBondContact O-CB 3.2Å; G394-T398 WeakPolarHBondContact O-CG2 3.37Å; G394-T398 PolarHBondContact O-N 3.37Å; G394-T398 PolarHBondContact O-OG1 3.2Å
395	D	95.7	Very high	97.1	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-57.7	-39.2	178.6	-40.2	-108	0	0	0	112.1	I292 V293 Y294 S393 F397 T398 T399 T400	I292-D395 WeakPolarHBondContact CA-OD2 3.22Å; I292-D395 HydrophobicContact CG2-CB 4.47Å; I292-D395 WeakPolarHBondContact CG2-OD1 3.35Å; V293-D395 WeakPolarHBondContact CG2-OD2 3.47Å; V293-D395 PolarHBondContact N-OD1 3.11Å; V293-D395 VanDerWaalsContact N-OD1 3.08Å; V293-D395 PolarHBondContact N-OD2 3.18Å; Y294-D395 WeakPolarHBondContact CA-OD1 3.2Å; Y294-D395 WeakPolarHBondContact CB-OD1 3.04Å; Y294-D395 HydrophobicContact CD2-CB 3.93Å; Y294-D395 PolarHBondContact N-OD1 3.13Å; S393-D395 PolarHBondContact O-N 2.86Å; S393-D395 VanDerWaalsContact O-N 3.14Å; S393-D395 PolarHBondContact OG-OD2 2.9Å; D395-F397 PolarHBondContact O-N 3.33Å; D395-T398 PolarHBondContact O-N 2.9Å; D395-T399 PolarHBondContact O-N 3.48Å; D395-T399 VanDerWaalsContact O-N 3.08Å; D395-T399 PolarHBondContact O-OG1 3.16Å; D395-T400 WeakPolarHBondContact O-CB 3.28Å; D395-T400 PolarHBondContact O-N 2.91Å
396	Y	96.9	Very high	97.1	Very high	17 Å²	17	5.6 Å²	5.6	7%	0.067	3%	0.032	C	C	.	.	H	α-helix	trans	-69.7	-14.1	-178.2	-73.3	-82.2	0	0	0	114.2	H156 S254 Y294 N391 S393 G394 T400	H156-Y396 HydrophobicContact CB-CD1 4.44Å; H156-Y396 HydrophobicContact CB-CE1 4.22Å; H156-Y396 AromaticContact CD2-CE1 3.96Å; H156-Y396 AromaticContact CE1-CE1 3.44Å; H156-Y396 VanDerWaalsContact CE1-CE1 3.44Å; H156-Y396 WeakPolarHBondContact CE1-CE1 3.38Å; H156-Y396 AromaticContact CG-CE1 3.64Å; H156-Y396 AromaticContact ND1-CD1 3.7Å; H156-Y396 AromaticContact ND1-CE1 3.32Å; H156-Y396 VanDerWaalsContact ND1-CE1 3.32Å; H156-Y396 WeakPolarHBondContact ND1-CE1 3.38Å; H156-Y396 AromaticContact NE2-CE1 3.88Å; S254-Y396 WeakPolarHBondContact CB-O 3.26Å; Y294-Y396 AromaticContact CE2-CE2 3.77Å; Y294-Y396 HydrophobicContact CE2-CE2 3.77Å; N391-Y396 HydrophobicContact CB-CD2 3.8Å; N391-Y396 HydrophobicContact CB-CE1 4.36Å; N391-Y396 HydrophobicContact CB-CE2 3.53Å; N391-Y396 HydrophobicContact CB-CG 4.31Å; N391-Y396 PolarHBondContact ND2-OH 2.95Å; N391-Y396 WeakPolarHBondContact O-CB 3.33Å; N391-Y396 WeakPolarHBondContact O-CD2 3.5Å; S393-Y396 PolarHBondContact O-N 3.06Å; S393-Y396 VanDerWaalsContact O-N 3.14Å; S393-Y396 WeakPolarHBondContact OG-CD2 3.37Å; G394-Y396 VanDerWaalsContact C-N 3.28Å; G394-Y396 PolarHBondContact O-N 3.48Å; Y396-T400 HydrophobicContact CD1-CG2 3.61Å; Y396-T400 HydrophobicContact CE1-CG2 3.9Å; Y396-T400 HydrophobicContact CG-CG2 4.41Å
397	F	96.7	Very high	97.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-109	-14.8	179.2	-57	-70.4	0	0	0	113.1	S254 W265 D266 L267 I270 W301 I304 W392 S393 G394 D395	S254-F397 WeakPolarHBondContact OG-CA 3.48Å; W265-F397 HydrophobicContact CZ2-CB 4.2Å; W265-F397 WeakPolarHBondContact CZ2-O 3.38Å; W265-F397 PolarHBondContact NE1-O 3.04Å; D266-F397 HydrophobicContact CB-CD1 4.3Å; D266-F397 HydrophobicContact CB-CE1 4.43Å; L267-F397 HydrophobicContact CB-CB 4.08Å; L267-F397 HydrophobicContact CB-CD1 3.84Å; L267-F397 HydrophobicContact CB-CG 4.02Å; L267-F397 HydrophobicContact CD1-CD1 4.36Å; L267-F397 HydrophobicContact CD1-CD2 4.24Å; L267-F397 HydrophobicContact CD1-CE2 4.48Å; L267-F397 HydrophobicContact CD1-CG 4.17Å; L267-F397 HydrophobicContact CD2-CB 4.4Å; I270-F397 HydrophobicContact CD1-CE1 3.61Å; I270-F397 HydrophobicContact CD1-CZ 3.74Å; W301-F397 HydrophobicContact CH2-CB 4.19Å; W301-F397 AromaticContact CH2-CD2 3.7Å; W301-F397 HydrophobicContact CH2-CD2 3.7Å; W301-F397 HydrophobicContact CH2-CG 4.23Å; W301-F397 AromaticContact CZ3-CD2 3.92Å; W301-F397 HydrophobicContact CZ3-CD2 3.92Å; W301-F397 HydrophobicContact CZ3-CE2 4.42Å; I304-F397 HydrophobicContact CD1-CE2 3.64Å; I304-F397 HydrophobicContact CD1-CZ 3.82Å; W392-F397 HydrophobicContact CG-CZ 4.49Å; S393-F397 VanDerWaalsContact O-CD2 3.3Å; S393-F397 WeakPolarHBondContact O-CD2 3.42Å; G394-F397 PolarHBondContact O-N 2.85Å; G394-F397 VanDerWaalsContact O-N 3.15Å; D395-F397 PolarHBondContact O-N 3.33Å
398	T	94.6	Very high	97.1	Very high	42 Å²	42	7.4 Å²	7.4	26%	0.258	4%	0.04	S	C	.	.	H	α-helix	trans	-117	-37.6	-168.2	53.8	0	0	0	0	114	P255 G394 D395	P255-T398 WeakPolarHBondContact CB-O 3.49Å; G394-T398 WeakPolarHBondContact O-CB 3.2Å; G394-T398 WeakPolarHBondContact O-CG2 3.37Å; G394-T398 PolarHBondContact O-N 3.37Å; G394-T398 PolarHBondContact O-OG1 3.2Å; D395-T398 PolarHBondContact O-N 2.9Å
399	T	93.9	Very high	97	Very high	15 Å²	15	7.2 Å²	7.2	9%	0.092	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-15.6	-175	58.6	0	0	0	0	113.6	L146 E152 D395	L146-T399 WeakPolarHBondContact CD1-O 3.34Å; E152-T399 HydrophobicContact CG-CG2 3.8Å; D395-T399 PolarHBondContact O-N 3.48Å; D395-T399 VanDerWaalsContact O-N 3.08Å; D395-T399 PolarHBondContact O-OG1 3.16Å
400	T	95.9	Very high	96.7	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.031	7%	0.069	C	C	.	.	S	Bend	trans	-106.8	140.4	-177.7	-67.6	0	0	0	0	110.5	G153 A154 H156 D395 Y396	G153-T400 WeakPolarHBondContact CA-OG1 3.36Å; A154-T400 HydrophobicContact CB-CG2 4.4Å; A154-T400 PolarHBondContact N-OG1 3.43Å; A154-T400 VanDerWaalsContact N-OG1 3.15Å; A154-T400 CarbonylContact O-C 3.59Å; A154-T400 VanDerWaalsContact O-CA 3.3Å; A154-T400 WeakPolarHBondContact O-CA 3.42Å; A154-T400 WeakPolarHBondContact O-CG2 3.21Å; H156-T400 HydrophobicContact CB-CG2 3.46Å; H156-T400 VanDerWaalsContact CB-CG2 3.46Å; D395-T400 WeakPolarHBondContact O-CB 3.28Å; D395-T400 PolarHBondContact O-N 2.91Å; Y396-T400 HydrophobicContact CD1-CG2 3.61Å; Y396-T400 HydrophobicContact CE1-CG2 3.9Å; Y396-T400 HydrophobicContact CG-CG2 4.41Å
401	T	96.4	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-73.1	135.5	179.4	72.4	0	0	0	0	111.7	L144 L146 A154 M155 H156 S157 Y206 S254 L258	L144-T401 HydrophobicContact CD2-CG2 4.03Å; L146-T401 HydrophobicContact CD1-CG2 3.52Å; L146-T401 HydrophobicContact CD2-CG2 3.97Å; L146-T401 HydrophobicContact CG-CG2 4.27Å; A154-T401 PolarHBondContact O-N 3.48Å; M155-T401 VanDerWaalsContact CA-OG1 3.28Å; M155-T401 WeakPolarHBondContact CA-OG1 3.2Å; H156-T401 CarbonylContact C-O 3.58Å; H156-T401 WeakPolarHBondContact CA-O 3.3Å; H156-T401 WeakPolarHBondContact CB-O 3.25Å; H156-T401 PolarHBondContact N-O 2.82Å; H156-T401 VanDerWaalsContact N-O 3.12Å; H156-T401 PolarHBondContact N-OG1 3.45Å; S157-T401 PolarHBondContact N-O 3.14Å; S157-T401 PolarHBondContact N-OG1 3.27Å; S157-T401 PolarHBondContact OG-OG1 3.3Å; Y206-T401 HydrophobicContact CD1-CG2 4.38Å; Y206-T401 HydrophobicContact CE1-CG2 3.9Å; S254-T401 WeakPolarHBondContact O-CA 3.47Å; L258-T401 HydrophobicContact CD1-CG2 3.63Å
402	G	96.7	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156	178.8	0	0	0	0	0	110.4	T253 S254 S390	T253-G402 CarbonylContact C-O 3.56Å; T253-G402 VanDerWaalsContact CA-O 3.24Å; T253-G402 WeakPolarHBondContact CA-O 3.44Å; S254-G402 PolarHBondContact N-O 2.78Å; S254-G402 PolarHBondContact O-N 3.14Å; S390-G402 WeakPolarHBondContact OG-CA 3.38Å
403	I	97.6	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.6	173.2	-170.6	176.3	0	0	0	110.2	F159 L169 L199 I202 A252 T253 G388 T389	F159-I403 HydrophobicContact CD1-CD1 4.42Å; F159-I403 HydrophobicContact CD1-CG2 4.11Å; F159-I403 HydrophobicContact CE1-CD1 4.45Å; L169-I403 HydrophobicContact CD1-CD1 3.71Å; L169-I403 HydrophobicContact CD1-CG1 3.87Å; L169-I403 HydrophobicContact CD1-CG2 4Å; L169-I403 HydrophobicContact CG-CG2 4.26Å; L199-I403 HydrophobicContact CD1-CD1 3.19Å; I202-I403 HydrophobicContact CD1-CD1 3.58Å; I202-I403 HydrophobicContact CD1-CG1 4.41Å; I202-I403 HydrophobicContact CG2-CD1 4.36Å; A252-I403 CarbonylContact O-C 3.46Å; A252-I403 VanDerWaalsContact O-CA 3.28Å; A252-I403 WeakPolarHBondContact O-CA 3.18Å; A252-I403 WeakPolarHBondContact O-CG1 3.35Å; T253-I403 HydrophobicContact CG2-CB 4.35Å; T253-I403 HydrophobicContact CG2-CD1 4.32Å; T253-I403 HydrophobicContact CG2-CG1 3.96Å; G388-I403 CarbonylContact C-O 3.53Å; G388-I403 WeakPolarHBondContact CA-O 3.39Å; T389-I403 HydrophobicContact CG2-CG2 3.54Å; T389-I403 PolarHBondContact N-O 2.77Å; T389-I403 PolarHBondContact OG1-N 3.48Å
404	A	98.5	Very high	95.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143	171.1	0	0	0	0	0	112.2	L251 A252 D266 I386 I387	L251-A404 WeakPolarHBondContact CA-O 3.47Å; A252-A404 PolarHBondContact N-O 2.97Å; A252-A404 PolarHBondContact O-N 3.13Å; D266-A404 VanDerWaalsContact OD1-CB 3.26Å; D266-A404 WeakPolarHBondContact OD1-CB 3.24Å; I386-A404 HydrophobicContact CG2-CB 3.8Å; I387-A404 CarbonylContact O-C 3.54Å; I387-A404 VanDerWaalsContact O-CA 3.22Å; I387-A404 WeakPolarHBondContact O-CA 3.28Å
405	L	98.7	Very high	95.7	Very high	2 Å²	2	38 Å²	38	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.2	161.2	-177	146.2	0	0	0	108.2	F167 L169 V187 V189 I249 L251 I386 I387 A407	F167-L405 HydrophobicContact CE2-CD1 4.46Å; F167-L405 HydrophobicContact CZ-CD1 4.35Å; L169-L405 HydrophobicContact CD2-CB 4.4Å; V187-L405 HydrophobicContact CG1-CB 4.42Å; V187-L405 HydrophobicContact CG1-CD1 4.03Å; V189-L405 HydrophobicContact CG2-CD1 4.42Å; I249-L405 HydrophobicContact CG2-CD1 3.96Å; I249-L405 HydrophobicContact CG2-CD2 4.08Å; I249-L405 HydrophobicContact CG2-CG 3.87Å; L251-L405 HydrophobicContact CD2-CB 4.06Å; L251-L405 HydrophobicContact CD2-CD1 4.37Å; L251-L405 HydrophobicContact CD2-CG 4.34Å; I386-L405 WeakPolarHBondContact CA-O 3.4Å; I387-L405 PolarHBondContact N-O 3.31Å; I387-L405 PolarHBondContact O-N 3.29Å; L405-A407 HydrophobicContact CD2-CB 4.07Å
406	V	98.8	Very high	95.8	Very high	3 Å²	3	38 Å²	38	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.6	176.3	-175	0	0	0	0	108	I249 F250 A252 A269 T384 V385 I386	I249-V406 VanDerWaalsContact CA-O 3.28Å; I249-V406 WeakPolarHBondContact CA-O 3.44Å; F250-V406 HydrophobicContact CD1-CB 4.08Å; F250-V406 HydrophobicContact CD1-CG1 4.33Å; F250-V406 HydrophobicContact CD2-CB 4.27Å; F250-V406 HydrophobicContact CD2-CG2 4.36Å; F250-V406 HydrophobicContact CE1-CB 3.63Å; F250-V406 HydrophobicContact CE1-CG1 3.49Å; F250-V406 VanDerWaalsContact CE1-CG1 3.49Å; F250-V406 HydrophobicContact CE1-CG2 4.39Å; F250-V406 HydrophobicContact CE2-CB 3.84Å; F250-V406 HydrophobicContact CE2-CG1 4.3Å; F250-V406 HydrophobicContact CE2-CG2 3.73Å; F250-V406 HydrophobicContact CG-CB 4.39Å; F250-V406 HydrophobicContact CZ-CB 3.51Å; F250-V406 HydrophobicContact CZ-CG1 3.48Å; F250-V406 VanDerWaalsContact CZ-CG1 3.48Å; F250-V406 HydrophobicContact CZ-CG2 3.75Å; F250-V406 PolarHBondContact N-O 3.16Å; F250-V406 PolarHBondContact O-N 2.07Å; A252-V406 HydrophobicContact CB-CG2 4.26Å; A269-V406 HydrophobicContact CB-CG2 3.79Å; T384-V406 HydrophobicContact CG2-CG1 4.09Å; V385-V406 WeakPolarHBondContact O-CA 3.43Å; I386-V406 HydrophobicContact CG1-CG1 4.2Å; I386-V406 HydrophobicContact CG1-CG2 4.29Å; I386-V406 HydrophobicContact CG2-CG2 4.44Å
407	A	98.5	Very high	95.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.6	178.3	0	0	0	0	0	110.6	T247 K248 I249 T384 V385 L405 L416	T247-A407 HydrophobicContact CG2-CB 4.12Å; K248-A407 CarbonylContact O-C 3.14Å; K248-A407 VanDerWaalsContact O-CA 3.26Å; K248-A407 WeakPolarHBondContact O-CA 3.44Å; I249-A407 HydrophobicContact CG1-CB 4.1Å; T384-A407 CarbonylContact C-O 3.28Å; T384-A407 WeakPolarHBondContact CA-O 3.4Å; V385-A407 PolarHBondContact N-O 3.13Å; V385-A407 PolarHBondContact O-N 3.39Å; L405-A407 HydrophobicContact CD2-CB 4.07Å; A407-L416 HydrophobicContact CB-CD2 3.56Å
408	Q	98.3	Very high	95.9	Very high	45 Å²	45	39.6 Å²	39.6	21%	0.21	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.4	178.8	-55.3	-172.5	-55.3	0	0	112.2	T247 K248 D383 T384	T247-Q408 WeakPolarHBondContact CA-O 3.42Å; K248-Q408 HydrophobicContact CB-CB 4.34Å; K248-Q408 PolarHBondContact N-O 2.96Å; K248-Q408 PolarHBondContact O-N 3.02Å; D383-Q408 CarbonylContact O-C 3.52Å; D383-Q408 VanDerWaalsContact O-CA 3.23Å; D383-Q408 WeakPolarHBondContact O-CA 3.44Å; T384-Q408 HydrophobicContact CG2-CG 4.1Å; T384-Q408 PolarHBondContact OG1-NE2 2.74Å; T384-Q408 VanDerWaalsContact OG1-NE2 3.15Å
409	Q	97.9	Very high	96	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	18%	0.182	C	C	.	.			trans	-132.2	101.8	176	-65.3	-176.5	-39.1	0	0	108.9	T247 D383 R414 V417	T247-Q409 HydrophobicContact CG2-CG 4Å; T247-Q409 PolarHBondContact OG1-NE2 2.82Å; D383-Q409 WeakPolarHBondContact CA-O 3.17Å; D383-Q409 WeakPolarHBondContact CB-O 3.49Å; D383-Q409 PolarHBondContact O-N 2.96Å; Q409-R414 HydrophobicContact CB-CB 3.74Å; Q409-R414 PolarHBondContact OE1-O 2.96Å; Q409-V417 HydrophobicContact CB-CG2 4.17Å
410	K	90.8	Very high	96.2	Very high	147 Å²	147	39.7 Å²	39.7	64%	0.639	18%	0.178	S	C	*	.			trans	-92.7	-5.1	-174.3	-66.2	-166.9	172.3	-168.9	0	114.8	D383	D383-K410 HydrophobicContact CB-CG 4.37Å
411	Q	83.9	Confident	96.3	Very high	99 Å²	99	43.4 Å²	43.4	46%	0.463	19%	0.192	S	C	.	.	S	Bend	trans	-84.3	164.2	-178.9	-66.3	174.2	-21.3	0	0	110.3	W413	Q411-W413 PolarHBondContact O-N 2.89Å
412	E	90	Very high	96.4	Very high	191 Å²	191	49.8 Å²	49.8	89%	0.893	22%	0.221	S	C	*	.	S	Bend	trans	-58	-39	173	-66.1	-174.1	161.1	0	0	111.6	R414	E412-R414 PolarHBondContact O-N 3.15Å
413	W	95.8	Very high	96.4	Very high	143 Å²	143	50 Å²	50	54%	0.542	22%	0.223	S	C	.	.			trans	-81.2	106.1	171.2	-178.9	-122.5	0	0	0	110.7	Y243 A245 Q411 P415	Y243-W413 PolarHBondContact O-NE1 2.96Å; A245-W413 WeakPolarHBondContact CB-O 3.34Å; Q411-W413 PolarHBondContact O-N 2.89Å; W413-P415 HydrophobicContact CD2-CG 4.33Å; W413-P415 HydrophobicContact CH2-CB 4.02Å; W413-P415 HydrophobicContact CH2-CG 4.5Å; W413-P415 HydrophobicContact CZ2-CB 3.68Å; W413-P415 HydrophobicContact CZ2-CG 3.73Å
414	R	97.1	Very high	96.5	Very high	67 Å²	67	50 Å²	50	25%	0.253	22%	0.223	S	C	.	.			trans	-136.2	63.7	-174.9	55.2	176.2	176.4	-134	-17.4	112.5	E382 Q409 E412 L416 V417 D418	E382-R414 WeakPolarHBondContact O-CD 3.44Å; E382-R414 PolarHBondContact O-NE 3.34Å; E382-R414 PolarHBondContact O-NH1 3.38Å; Q409-R414 HydrophobicContact CB-CB 3.74Å; Q409-R414 PolarHBondContact OE1-O 2.96Å; E412-R414 PolarHBondContact O-N 3.15Å; R414-L416 VanDerWaalsContact C-N 3.26Å; R414-L416 PolarHBondContact O-N 2.81Å; R414-L416 VanDerWaalsContact O-N 3.13Å; R414-V417 HydrophobicContact CB-CB 4.08Å; R414-V417 HydrophobicContact CB-CG2 4.22Å; R414-V417 HydrophobicContact CG-CB 4.17Å; R414-V417 PolarHBondContact O-N 2.92Å; R414-V417 VanDerWaalsContact O-N 3.13Å; R414-D418 IonicContact NE-OD1 3.6Å; R414-D418 PolarHBondContact O-N 2.95Å
415	P	97.2	Very high	96.5	Very high	17 Å²	17	51.1 Å²	51.1	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-26	-169.4	21.6	-31.1	0	0	0	114.6	Y242 A245 W413 H419	Y242-P415 HydrophobicContact CD1-CB 4.41Å; Y242-P415 HydrophobicContact CD1-CG 3.87Å; Y242-P415 HydrophobicContact CE1-CB 4.12Å; Y242-P415 HydrophobicContact CE1-CG 4.09Å; A245-P415 HydrophobicContact CB-CG 4.04Å; W413-P415 HydrophobicContact CD2-CG 4.33Å; W413-P415 HydrophobicContact CH2-CB 4.02Å; W413-P415 HydrophobicContact CH2-CG 4.5Å; W413-P415 HydrophobicContact CZ2-CB 3.68Å; W413-P415 HydrophobicContact CZ2-CG 3.73Å; P415-H419 WeakPolarHBondContact O-CB 3.24Å; P415-H419 PolarHBondContact O-N 2.91Å; P415-H419 VanDerWaalsContact O-N 3.08Å
416	L	97.8	Very high	96.4	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-75.5	-44.7	176.6	-177.8	60.2	0	0	0	110.7	I36 Y242 T247 V385 A407 R414 D418 H419 M420	I36-L416 HydrophobicContact CD1-CD1 3.94Å; I36-L416 HydrophobicContact CG1-CD1 4.21Å; Y242-L416 HydrophobicContact CD1-CB 3.84Å; Y242-L416 HydrophobicContact CE1-CB 3.59Å; Y242-L416 HydrophobicContact CE1-CD1 4.28Å; Y242-L416 HydrophobicContact CE1-CG 4.49Å; Y242-L416 HydrophobicContact CE2-CD1 4.47Å; T247-L416 HydrophobicContact CG2-CD2 4.4Å; V385-L416 HydrophobicContact CG2-CG 4.42Å; A407-L416 HydrophobicContact CB-CD2 3.56Å; R414-L416 VanDerWaalsContact C-N 3.26Å; R414-L416 PolarHBondContact O-N 2.81Å; R414-L416 VanDerWaalsContact O-N 3.13Å; L416-D418 VanDerWaalsContact C-N 3.35Å; L416-H419 PolarHBondContact O-N 3.33Å; L416-M420 WeakPolarHBondContact O-CB 3.16Å; L416-M420 WeakPolarHBondContact O-CG 3.35Å; L416-M420 PolarHBondContact O-N 3.14Å
417	V	98.3	Very high	96.3	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-47.4	175.7	176.8	0	0	0	0	109.9	L380 T381 V385 Q409 R414 H419 M420 R421	L380-V417 HydrophobicContact CD1-CG1 4.23Å; T381-V417 VanDerWaalsContact O-CG1 3.25Å; T381-V417 WeakPolarHBondContact O-CG1 3.36Å; V385-V417 HydrophobicContact CG2-CB 4.44Å; V385-V417 HydrophobicContact CG2-CG2 4.05Å; Q409-V417 HydrophobicContact CB-CG2 4.17Å; R414-V417 HydrophobicContact CB-CB 4.08Å; R414-V417 HydrophobicContact CB-CG2 4.22Å; R414-V417 HydrophobicContact CG-CB 4.17Å; R414-V417 PolarHBondContact O-N 2.92Å; R414-V417 VanDerWaalsContact O-N 3.13Å; V417-H419 PolarHBondContact O-N 2.87Å; V417-M420 PolarHBondContact O-N 3.05Å; V417-R421 WeakPolarHBondContact O-CB 3.4Å; V417-R421 PolarHBondContact O-N 3.31Å
418	D	97.6	Very high	96.3	Very high	48 Å²	48	53.1 Å²	53.1	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-65.7	-40.3	-178.6	-68.1	-29.1	0	0	0	112.1	R414 L416 R421 Q422	R414-D418 IonicContact NE-OD1 3.6Å; R414-D418 PolarHBondContact O-N 2.95Å; L416-D418 VanDerWaalsContact C-N 3.35Å; D418-R421 WeakPolarHBondContact O-CB 2.92Å; D418-R421 PolarHBondContact O-N 3.02Å; D418-Q422 VanDerWaalsContact O-CG 3.32Å; D418-Q422 WeakPolarHBondContact O-CG 3.29Å; D418-Q422 PolarHBondContact O-N 2.93Å
419	H	97.2	Very high	96.3	Very high	59 Å²	59	60 Å²	60	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-46.8	174.5	-174.4	-176.3	0	0	0	111.4	P415 L416 V417 R421 Q422 I423	P415-H419 WeakPolarHBondContact O-CB 3.24Å; P415-H419 PolarHBondContact O-N 2.91Å; P415-H419 VanDerWaalsContact O-N 3.08Å; L416-H419 PolarHBondContact O-N 3.33Å; V417-H419 PolarHBondContact O-N 2.87Å; H419-R421 VanDerWaalsContact C-N 3.29Å; H419-R421 PolarHBondContact O-N 2.84Å; H419-Q422 WeakPolarHBondContact O-CB 3.4Å; H419-Q422 PolarHBondContact O-N 2.83Å; H419-I423 PolarHBondContact O-N 2.93Å
420	M	98.3	Very high	96.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-35.6	176.5	-71.7	-60.1	-59	0	0	112.5	I36 L185 F378 L380 V385 I387 L416 V417 I423 F424	I36-M420 HydrophobicContact CD1-CG 4.45Å; I36-M420 HydrophobicContact CD1-SD 3.62Å; I36-M420 HydrophobicContact CG1-SD 3.83Å; I36-M420 HydrophobicContact CG2-SD 4.03Å; L185-M420 HydrophobicContact CD1-CE 3.81Å; L185-M420 HydrophobicContact CD1-SD 4.35Å; L185-M420 HydrophobicContact CD2-CE 3.86Å; F378-M420 HydrophobicContact CB-CE 4.21Å; F378-M420 HydrophobicContact CD1-CE 4.25Å; F378-M420 HydrophobicContact CD2-CE 3.47Å; F378-M420 VanDerWaalsContact CD2-CE 3.47Å; F378-M420 HydrophobicContact CE1-CE 4.49Å; F378-M420 HydrophobicContact CE2-CE 3.79Å; F378-M420 HydrophobicContact CG-CE 3.74Å; F378-M420 HydrophobicContact CZ-CE 4.28Å; L380-M420 HydrophobicContact CD2-CB 4.29Å; V385-M420 HydrophobicContact CG1-CG 3.8Å; V385-M420 HydrophobicContact CG2-CB 4.06Å; V385-M420 HydrophobicContact CG2-CG 3.94Å; I387-M420 HydrophobicContact CD1-CE 4.2Å; I387-M420 HydrophobicContact CD1-SD 4.12Å; I387-M420 HydrophobicContact CG1-CE 4.16Å; L416-M420 WeakPolarHBondContact O-CB 3.16Å; L416-M420 WeakPolarHBondContact O-CG 3.35Å; L416-M420 PolarHBondContact O-N 3.14Å; V417-M420 PolarHBondContact O-N 3.05Å; M420-I423 PolarHBondContact O-N 2.81Å; M420-I423 HydrophobicContact SD-CD1 4.26Å; M420-F424 WeakPolarHBondContact O-CB 3.39Å; M420-F424 PolarHBondContact O-N 3.02Å
421	R	98	Very high	96.4	Very high	84 Å²	84	57.8 Å²	57.8	32%	0.317	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-42.9	174.1	-168.6	-177.2	-177.3	-168.4	0.2	111.4	Y282 L380 V417 D418 H419 F424 L425	Y282-R421 HydrophobicContact CD2-CG 4.25Å; Y282-R421 HydrophobicContact CE2-CG 3.99Å; L380-R421 HydrophobicContact CD1-CB 3.63Å; L380-R421 HydrophobicContact CD1-CG 4.17Å; V417-R421 WeakPolarHBondContact O-CB 3.4Å; V417-R421 PolarHBondContact O-N 3.31Å; D418-R421 WeakPolarHBondContact O-CB 2.92Å; D418-R421 PolarHBondContact O-N 3.02Å; H419-R421 VanDerWaalsContact C-N 3.29Å; H419-R421 PolarHBondContact O-N 2.84Å; R421-F424 PolarHBondContact O-N 3.27Å; R421-L425 HydrophobicContact CG-CD1 4.04Å; R421-L425 HydrophobicContact CG-CG 4.42Å; R421-L425 WeakPolarHBondContact O-CB 3.23Å; R421-L425 WeakPolarHBondContact O-CG 3.41Å; R421-L425 PolarHBondContact O-N 3.18Å
422	Q	97.3	Very high	97	Very high	133 Å²	133	54.6 Å²	54.6	62%	0.621	24%	0.244	S	C	*	.	H	α-helix	trans	-61.5	-45.8	176.4	-72.6	171.3	3.7	0	0	111.4	D418 H419 F424 L425 R426	D418-Q422 VanDerWaalsContact O-CG 3.32Å; D418-Q422 WeakPolarHBondContact O-CG 3.29Å; D418-Q422 PolarHBondContact O-N 2.93Å; H419-Q422 WeakPolarHBondContact O-CB 3.4Å; H419-Q422 PolarHBondContact O-N 2.83Å; Q422-F424 PolarHBondContact O-N 3.46Å; Q422-L425 PolarHBondContact O-N 2.78Å; Q422-R426 VanDerWaalsContact O-CB 3.31Å; Q422-R426 WeakPolarHBondContact O-CB 3.32Å; Q422-R426 PolarHBondContact O-N 3.43Å
423	I	97.8	Very high	97.3	Very high	6 Å²	6	46 Å²	46	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-47.9	174.9	-71.6	169.7	0	0	0	111.1	I36 E38 P52 L185 F378 H419 M420 L425 R426 N427	I36-I423 HydrophobicContact CB-CD1 4.43Å; I36-I423 HydrophobicContact CG2-CD1 3.63Å; E38-I423 WeakPolarHBondContact OE1-CG2 3.47Å; P52-I423 HydrophobicContact CG-CD1 3.78Å; P52-I423 HydrophobicContact CG-CG1 4.31Å; L185-I423 HydrophobicContact CD1-CD1 4.44Å; L185-I423 HydrophobicContact CD1-CG2 3.94Å; F378-I423 HydrophobicContact CZ-CG2 4.4Å; H419-I423 PolarHBondContact O-N 2.93Å; M420-I423 PolarHBondContact O-N 2.81Å; M420-I423 HydrophobicContact SD-CD1 4.26Å; I423-L425 PolarHBondContact O-N 3.18Å; I423-R426 PolarHBondContact O-N 3.19Å; I423-N427 PolarHBondContact O-N 2.86Å; I423-N427 VanDerWaalsContact O-N 3.12Å; I423-N427 PolarHBondContact O-OD1 3.46Å
424	F	98.6	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-49.5	178.1	-178.7	-91.5	0	0	0	111.6	Y282 I283 H284 K320 L322 F378 L380 M420 R421 Q422 R426 N427 W428	Y282-F424 HydrophobicContact CD1-CD1 4.48Å; Y282-F424 HydrophobicContact CD1-CE1 4.07Å; Y282-F424 AromaticContact CD2-CD1 3.41Å; Y282-F424 HydrophobicContact CD2-CD1 3.41Å; Y282-F424 VanDerWaalsContact CD2-CD1 3.41Å; Y282-F424 AromaticContact CD2-CE1 3.83Å; Y282-F424 HydrophobicContact CD2-CE1 3.83Å; Y282-F424 HydrophobicContact CD2-CG 4.06Å; Y282-F424 HydrophobicContact CE2-CD1 4.15Å; Y282-F424 HydrophobicContact CE2-CE1 4.48Å; Y282-F424 AromaticContact CG-CD1 3.61Å; Y282-F424 HydrophobicContact CG-CD1 3.61Å; Y282-F424 AromaticContact CG-CE1 3.59Å; Y282-F424 HydrophobicContact CG-CE1 3.59Å; Y282-F424 HydrophobicContact CG-CG 4.21Å; Y282-F424 HydrophobicContact CG-CZ 4.17Å; I283-F424 WeakPolarHBondContact O-CE2 3.28Å; H284-F424 HydrophobicContact CB-CD2 4.06Å; H284-F424 HydrophobicContact CB-CE2 4.12Å; K320-F424 HydrophobicContact CB-CE1 3.68Å; K320-F424 HydrophobicContact CB-CZ 3.67Å; K320-F424 HydrophobicContact CD-CE1 4.27Å; K320-F424 WeakPolarHBondContact O-CZ 3.24Å; L322-F424 HydrophobicContact CB-CE2 4.42Å; L322-F424 HydrophobicContact CD1-CD2 4.4Å; L322-F424 HydrophobicContact CD1-CE2 3.99Å; L322-F424 HydrophobicContact CD1-CZ 4.27Å; L322-F424 HydrophobicContact CG-CE2 4.28Å; L322-F424 HydrophobicContact CG-CZ 4.37Å; F378-F424 HydrophobicContact CE2-CB 4.14Å; F378-F424 HydrophobicContact CE2-CD2 4.05Å; F378-F424 HydrophobicContact CZ-CB 4.21Å; F378-F424 HydrophobicContact CZ-CD2 4.09Å; L380-F424 HydrophobicContact CD2-CB 4Å; L380-F424 HydrophobicContact CD2-CG 4.46Å; M420-F424 WeakPolarHBondContact O-CB 3.39Å; M420-F424 PolarHBondContact O-N 3.02Å; R421-F424 PolarHBondContact O-N 3.27Å; Q422-F424 PolarHBondContact O-N 3.46Å; F424-R426 PolarHBondContact O-N 3.21Å; F424-N427 PolarHBondContact O-N 3.14Å; F424-W428 HydrophobicContact CD1-CB 4.46Å; F424-W428 HydrophobicContact CE1-CB 4.25Å; F424-W428 HydrophobicContact CE1-CD2 4.16Å; F424-W428 AromaticContact CE1-CE3 3.76Å; F424-W428 HydrophobicContact CE1-CE3 3.76Å; F424-W428 HydrophobicContact CE1-CG 4.37Å; F424-W428 HydrophobicContact CZ-CD2 4.44Å; F424-W428 AromaticContact CZ-CE3 3.59Å; F424-W428 HydrophobicContact CZ-CE3 3.59Å; F424-W428 HydrophobicContact CZ-CZ3 4.08Å; F424-W428 VanDerWaalsContact O-CB 3.3Å; F424-W428 WeakPolarHBondContact O-CB 3.2Å; F424-W428 PolarHBondContact O-N 2.67Å
425	L	98.1	Very high	97.4	Very high	23 Å²	23	40.4 Å²	40.4	12%	0.12	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-33.1	-177.7	-70.1	176.4	0	0	0	112.7	Y282 R421 Q422 I423 W428 R429	Y282-L425 HydrophobicContact CE2-CD2 4.07Å; Y282-L425 HydrophobicContact CE2-CG 4.36Å; R421-L425 HydrophobicContact CG-CD1 4.04Å; R421-L425 HydrophobicContact CG-CG 4.42Å; R421-L425 WeakPolarHBondContact O-CB 3.23Å; R421-L425 WeakPolarHBondContact O-CG 3.41Å; R421-L425 PolarHBondContact O-N 3.18Å; Q422-L425 PolarHBondContact O-N 2.78Å; I423-L425 PolarHBondContact O-N 3.18Å; L425-W428 PolarHBondContact O-N 3.38Å; L425-R429 WeakPolarHBondContact O-CB 3.31Å; L425-R429 VanDerWaalsContact O-CG 3.27Å; L425-R429 WeakPolarHBondContact O-CG 3.47Å; L425-R429 PolarHBondContact O-N 3.05Å
426	R	97.2	Very high	97.3	Very high	33 Å²	33	39.6 Å²	39.6	13%	0.125	19%	0.187	C	C	.	.	H	α-helix	trans	-57.3	-51.1	170.1	-178.7	-159.2	69.8	-159	-4.4	110.2	E38 F46 T48 L51 Q422 I423 F424 W428 S430	E38-R426 VanDerWaalsContact CD-NH2 3.26Å; E38-R426 IonicContact OE1-CZ 3.81Å; E38-R426 IonicContact OE1-NH2 3.11Å; E38-R426 PolarHBondContact OE1-NH2 3.09Å; E38-R426 IonicContact OE2-CZ 3.55Å; E38-R426 VanDerWaalsContact OE2-CZ 3.23Å; E38-R426 IonicContact OE2-NH1 2.8Å; E38-R426 PolarHBondContact OE2-NH1 3.21Å; E38-R426 IonicContact OE2-NH2 3.93Å; E38-R426 PolarHBondContact OE2-NH2 3.39Å; F46-R426 HydrophobicContact CB-CG 3.89Å; F46-R426 HydrophobicContact CD1-CG 3.68Å; F46-R426 HydrophobicContact CE1-CG 4.36Å; F46-R426 HydrophobicContact CG-CG 3.81Å; T48-R426 HydrophobicContact CG2-CG 4.23Å; L51-R426 VanDerWaalsContact CD2-NH1 3.3Å; Q422-R426 VanDerWaalsContact O-CB 3.31Å; Q422-R426 WeakPolarHBondContact O-CB 3.32Å; Q422-R426 PolarHBondContact O-N 3.43Å; I423-R426 PolarHBondContact O-N 3.19Å; F424-R426 PolarHBondContact O-N 3.21Å; R426-W428 VanDerWaalsContact C-N 3.35Å; R426-W428 PolarHBondContact O-N 2.92Å; R426-S430 WeakPolarHBondContact O-CB 3.37Å; R426-S430 PolarHBondContact O-N 3.44Å; R426-S430 VanDerWaalsContact O-N 3.13Å
427	N	97.6	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-39.2	178.5	-64.1	-0.2	0	0	0	111.3	H284 L322 F356 I423 F424 R429 S430 A433	H284-N427 PolarHBondContact CD2-ND2 3.1Å; H284-N427 PolarHBondContact NE2-ND2 3.41Å; L322-N427 HydrophobicContact CD1-CB 3.81Å; F356-N427 HydrophobicContact CD2-CB 4.34Å; F356-N427 HydrophobicContact CE2-CB 3.93Å; I423-N427 PolarHBondContact O-N 2.86Å; I423-N427 VanDerWaalsContact O-N 3.12Å; I423-N427 PolarHBondContact O-OD1 3.46Å; F424-N427 PolarHBondContact O-N 3.14Å; N427-R429 PolarHBondContact O-N 2.91Å; N427-S430 WeakPolarHBondContact O-CB 3.48Å; N427-S430 PolarHBondContact O-N 2.89Å; N427-S430 PolarHBondContact O-OG 3.39Å; N427-A433 WeakPolarHBondContact O-CB 3.3Å
428	W	98.2	Very high	97	Very high	14 Å²	14	46.9 Å²	46.9	5%	0.053	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-38.3	-179.6	-176	-94.3	0	0	0	114.3	K320 L322 E352 K354 F424 L425 R426	K320-W428 HydrophobicContact CB-CE3 4.07Å; K320-W428 HydrophobicContact CB-CH2 3.76Å; K320-W428 HydrophobicContact CB-CZ2 4.14Å; K320-W428 HydrophobicContact CB-CZ3 3.71Å; K320-W428 HydrophobicContact CD-CD2 4.09Å; K320-W428 HydrophobicContact CD-CE3 4.48Å; K320-W428 HydrophobicContact CD-CH2 4.29Å; K320-W428 HydrophobicContact CD-CZ2 3.79Å; K320-W428 HydrophobicContact CG-CH2 3.84Å; K320-W428 HydrophobicContact CG-CZ2 3.76Å; K320-W428 HydrophobicContact CG-CZ3 4.27Å; L322-W428 HydrophobicContact CD1-CB 4.29Å; L322-W428 HydrophobicContact CD1-CE3 4.04Å; L322-W428 HydrophobicContact CD2-CE3 3.93Å; L322-W428 HydrophobicContact CD2-CZ3 4.23Å; L322-W428 HydrophobicContact CG-CE3 3.6Å; L322-W428 HydrophobicContact CG-CZ3 3.98Å; E352-W428 HydrophobicContact CB-CH2 3.92Å; E352-W428 HydrophobicContact CB-CZ2 3.89Å; E352-W428 HydrophobicContact CG-CH2 3.92Å; E352-W428 HydrophobicContact CG-CZ2 3.74Å; E352-W428 WeakPolarHBondContact O-CH2 3.39Å; E352-W428 WeakPolarHBondContact OE2-CZ2 3.31Å; K354-W428 HydrophobicContact CB-CH2 4.22Å; K354-W428 HydrophobicContact CB-CZ3 4.05Å; K354-W428 HydrophobicContact CD-CD2 4.05Å; K354-W428 HydrophobicContact CD-CE3 4.25Å; K354-W428 HydrophobicContact CD-CH2 4.04Å; K354-W428 HydrophobicContact CD-CZ2 3.89Å; K354-W428 HydrophobicContact CD-CZ3 4.21Å; K354-W428 HydrophobicContact CG-CH2 3.75Å; K354-W428 HydrophobicContact CG-CZ2 4.02Å; K354-W428 HydrophobicContact CG-CZ3 4.04Å; K354-W428 PolarHBondContact NZ-O 2.87Å; F424-W428 HydrophobicContact CD1-CB 4.46Å; F424-W428 HydrophobicContact CE1-CB 4.25Å; F424-W428 HydrophobicContact CE1-CD2 4.16Å; F424-W428 AromaticContact CE1-CE3 3.76Å; F424-W428 HydrophobicContact CE1-CE3 3.76Å; F424-W428 HydrophobicContact CE1-CG 4.37Å; F424-W428 HydrophobicContact CZ-CD2 4.44Å; F424-W428 AromaticContact CZ-CE3 3.59Å; F424-W428 HydrophobicContact CZ-CE3 3.59Å; F424-W428 HydrophobicContact CZ-CZ3 4.08Å; F424-W428 VanDerWaalsContact O-CB 3.3Å; F424-W428 WeakPolarHBondContact O-CB 3.2Å; F424-W428 PolarHBondContact O-N 2.67Å; L425-W428 PolarHBondContact O-N 3.38Å; R426-W428 VanDerWaalsContact C-N 3.35Å; R426-W428 PolarHBondContact O-N 2.92Å
429	R	97.3	Very high	96.9	Very high	189 Å²	189	44.7 Å²	44.7	71%	0.713	22%	0.217	S	C	*	.	H	α-helix	trans	-90.1	-13	-177.9	-66.9	172.2	179.2	167.3	-0.9	112.7	L425 N427	L425-R429 WeakPolarHBondContact O-CB 3.31Å; L425-R429 VanDerWaalsContact O-CG 3.27Å; L425-R429 WeakPolarHBondContact O-CG 3.47Å; L425-R429 PolarHBondContact O-N 3.05Å; N427-R429 PolarHBondContact O-N 2.91Å
430	S	96.6	Very high	96.7	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.063	21%	0.205	C	C	.	.	S	Bend	trans	-61.9	153.5	179.5	76.8	0	0	0	0	112.3	F356 R426 N427 Y432 A433	F356-S430 WeakPolarHBondContact CE2-OG 3.5Å; R426-S430 WeakPolarHBondContact O-CB 3.37Å; R426-S430 PolarHBondContact O-N 3.44Å; R426-S430 VanDerWaalsContact O-N 3.13Å; N427-S430 WeakPolarHBondContact O-CB 3.48Å; N427-S430 PolarHBondContact O-N 2.89Å; N427-S430 PolarHBondContact O-OG 3.39Å; S430-Y432 PolarHBondContact O-N 2.9Å; S430-Y432 WeakPolarHBondContact OG-CD2 3.35Å; S430-A433 PolarHBondContact O-N 3.44Å; S430-A433 VanDerWaalsContact O-N 3.16Å
431	P	95.2	Very high	96.5	Very high	95 Å²	95	48.8 Å²	48.8	62%	0.617	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12	177.3	27	-35.9	0	0	0	113.6	H434	P431-H434 PolarHBondContact O-CE1 2.9Å
432	Y	95.7	Very high	96.2	Very high	31 Å²	31	47.1 Å²	47.1	12%	0.122	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-10.9	179.6	-43.4	-63.5	0	0	0	113.1	I44 T45 F46 F356 K357 P359 S430	I44-Y432 HydrophobicContact CB-CE2 4.45Å; I44-Y432 HydrophobicContact CG1-CE1 4.48Å; I44-Y432 HydrophobicContact CG1-CE2 4.44Å; I44-Y432 HydrophobicContact CG2-CD2 4.23Å; I44-Y432 HydrophobicContact CG2-CE2 3.7Å; T45-Y432 PolarHBondContact N-OH 2.98Å; T45-Y432 VanDerWaalsContact N-OH 3.15Å; T45-Y432 VanDerWaalsContact O-CE2 3.29Å; T45-Y432 WeakPolarHBondContact O-CE2 3.25Å; T45-Y432 PolarHBondContact O-OH 3.45Å; F46-Y432 HydrophobicContact CE1-CD2 4.34Å; F46-Y432 HydrophobicContact CE1-CE2 4.42Å; F356-Y432 CarbonylContact C-O 3.48Å; F356-Y432 WeakPolarHBondContact CA-O 3.09Å; F356-Y432 HydrophobicContact CE2-CD2 4.49Å; F356-Y432 AromaticContact CZ-CD2 3.99Å; F356-Y432 HydrophobicContact CZ-CD2 3.99Å; F356-Y432 HydrophobicContact CZ-CG 4.21Å; K357-Y432 PolarHBondContact N-O 2.92Å; K357-Y432 WeakPolarHBondContact O-CB 3.32Å; P359-Y432 HydrophobicContact CG-CD1 4.05Å; P359-Y432 HydrophobicContact CG-CE1 3.86Å; S430-Y432 PolarHBondContact O-N 2.9Å; S430-Y432 WeakPolarHBondContact OG-CD2 3.35Å
433	A	97.4	Very high	95.9	Very high	11 Å²	11	42 Å²	42	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	97.9	179.5	0	0	0	0	0	110.9	L322 K354 F356 N427 S430	L322-A433 HydrophobicContact CD2-CB 3.79Å; K354-A433 HydrophobicContact CB-CB 4.37Å; K354-A433 HydrophobicContact CD-CB 3.92Å; F356-A433 HydrophobicContact CD2-CB 4.22Å; N427-A433 WeakPolarHBondContact O-CB 3.3Å; S430-A433 PolarHBondContact O-N 3.44Å; S430-A433 VanDerWaalsContact O-N 3.16Å
434	H	97	Very high	95.4	Very high	36 Å²	36	45.1 Å²	45.1	17%	0.167	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140.6	-177.9	-52	-65.7	0	0	0	111.3	K354 I355 P431 V452	K354-H434 CarbonylContact C-O 3.54Å; K354-H434 WeakPolarHBondContact CA-O 3.33Å; K354-H434 WeakPolarHBondContact CB-O 3.26Å; I355-H434 PolarHBondContact N-O 3.43Å; I355-H434 PolarHBondContact O-N 2.97Å; P431-H434 PolarHBondContact O-CE1 2.9Å; H434-V452 HydrophobicContact CB-CG1 4.2Å
435	T	97	Very high	94.8	Very high	56 Å²	56	52.2 Å²	52.2	34%	0.344	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	145.4	175.3	65.5	0	0	0	0	110.8	N437 T438 Y439	T435-N437 VanDerWaalsContact C-N 3.26Å; T435-N437 PolarHBondContact O-N 2.8Å; T435-T438 PolarHBondContact O-N 2.9Å; T435-T438 VanDerWaalsContact O-N 3.14Å; T435-T438 VanDerWaalsContact OG1-CB 3.29Å; T435-T438 WeakPolarHBondContact OG1-CB 3.37Å; T435-T438 PolarHBondContact OG1-N 2.84Å; T435-T438 PolarHBondContact OG1-OG1 3.28Å; T435-Y439 PolarHBondContact O-N 3.12Å
436	L	96.4	Very high	93.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.1	-42.7	-179.6	-178.6	64	0	0	0	112.6	L333 M336 Q337 Q340 I353 I355 Y439 I440	L333-L436 HydrophobicContact CD2-CD1 3.52Å; M336-L436 HydrophobicContact CB-CD1 4.15Å; M336-L436 HydrophobicContact CB-CD2 3.81Å; M336-L436 HydrophobicContact SD-CD1 4.45Å; Q337-L436 HydrophobicContact CB-CD2 4.27Å; Q340-L436 HydrophobicContact CB-CD2 4.31Å; I353-L436 HydrophobicContact CB-CB 4.46Å; I353-L436 HydrophobicContact CB-CD2 4.27Å; I353-L436 WeakPolarHBondContact O-CB 3.36Å; I353-L436 PolarHBondContact O-N 3.3Å; I355-L436 HydrophobicContact CD1-CD1 4.25Å; I355-L436 HydrophobicContact CG1-CD1 4.35Å; L436-Y439 PolarHBondContact O-N 2.82Å; L436-I440 HydrophobicContact CD1-CD1 4.06Å; L436-I440 HydrophobicContact CD1-CG1 4.35Å; L436-I440 HydrophobicContact CG-CD1 3.91Å; L436-I440 WeakPolarHBondContact O-CG1 3.37Å; L436-I440 PolarHBondContact O-N 3.19Å
437	N	94.3	Very high	93	Very high	95 Å²	95	57 Å²	57	51%	0.508	31%	0.308	S	S	.	.	H	α-helix	trans	-64.2	-43.5	179	-71.7	-15	0	0	0	112.4	T435 Y439 I440 K441	T435-N437 VanDerWaalsContact C-N 3.26Å; T435-N437 PolarHBondContact O-N 2.8Å; N437-Y439 VanDerWaalsContact C-N 3.33Å; N437-I440 PolarHBondContact O-N 3.45Å; N437-K441 WeakPolarHBondContact O-CB 3.46Å; N437-K441 PolarHBondContact O-N 3.46Å
438	T	94.3	Very high	92.2	Very high	62 Å²	62	62.8 Å²	62.8	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-42.9	176	-67	0	0	0	0	110.7	T435 K441 L442	T435-T438 PolarHBondContact O-N 2.9Å; T435-T438 VanDerWaalsContact O-N 3.14Å; T435-T438 VanDerWaalsContact OG1-CB 3.29Å; T435-T438 WeakPolarHBondContact OG1-CB 3.37Å; T435-T438 PolarHBondContact OG1-N 2.84Å; T435-T438 PolarHBondContact OG1-OG1 3.28Å; T438-K441 PolarHBondContact O-N 3.34Å; T438-L442 HydrophobicContact CG2-CD1 3.73Å; T438-L442 HydrophobicContact CG2-CG 4.33Å; T438-L442 WeakPolarHBondContact O-CB 3.41Å; T438-L442 WeakPolarHBondContact O-CG 3.46Å; T438-L442 PolarHBondContact O-N 2.91Å
439	Y	95	Very high	91.6	Very high	3 Å²	3	64.9 Å²	64.9	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-50.2	177.5	-166.1	-79.9	0	0	0	111.6	A325 L333 I355 T435 L436 N437 K441 L442 C443 V452 E454	A325-Y439 HydrophobicContact CB-CD1 4.43Å; A325-Y439 HydrophobicContact CB-CE1 3.62Å; A325-Y439 HydrophobicContact CB-CE2 4.22Å; A325-Y439 VanDerWaalsContact CB-CZ 3.48Å; A325-Y439 WeakPolarHBondContact CB-OH 3.29Å; L333-Y439 HydrophobicContact CD1-CD1 3.84Å; L333-Y439 HydrophobicContact CD1-CE1 3.85Å; L333-Y439 HydrophobicContact CD2-CD1 4Å; L333-Y439 HydrophobicContact CD2-CE1 4.4Å; I355-Y439 HydrophobicContact CB-CD2 3.58Å; I355-Y439 HydrophobicContact CB-CE2 4Å; I355-Y439 HydrophobicContact CB-CG 3.98Å; I355-Y439 HydrophobicContact CG1-CD1 4.24Å; I355-Y439 HydrophobicContact CG1-CD2 3.92Å; I355-Y439 HydrophobicContact CG1-CE2 4.48Å; I355-Y439 HydrophobicContact CG1-CG 3.78Å; I355-Y439 HydrophobicContact CG2-CD2 3.56Å; I355-Y439 HydrophobicContact CG2-CE2 3.41Å; I355-Y439 VanDerWaalsContact CG2-CE2 3.41Å; I355-Y439 HydrophobicContact CG2-CG 4.24Å; T435-Y439 PolarHBondContact O-N 3.12Å; L436-Y439 PolarHBondContact O-N 2.82Å; N437-Y439 VanDerWaalsContact C-N 3.33Å; Y439-K441 VanDerWaalsContact C-N 3.33Å; Y439-K441 PolarHBondContact O-N 3.42Å; Y439-L442 PolarHBondContact O-N 3.27Å; Y439-C443 HydrophobicContact CD1-CB 3.99Å; Y439-C443 HydrophobicContact CE1-CB 3.71Å; Y439-C443 WeakPolarHBondContact O-CB 3.45Å; Y439-C443 PolarHBondContact O-N 3.16Å; Y439-C443 PolarHBondContact O-SG 2.89Å; Y439-C443 VanDerWaalsContact O-SG 3.39Å; Y439-V452 HydrophobicContact CD2-CG1 3.84Å; Y439-V452 HydrophobicContact CE2-CG1 4.41Å; Y439-V452 WeakPolarHBondContact CE2-O 3.22Å; Y439-E454 WeakPolarHBondContact OH-CB 3.3Å; Y439-E454 PolarHBondContact OH-N 3.18Å
440	I	93.6	Very high	91.1	Very high	6 Å²	6	61 Å²	61	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-57.8	-46.9	177.9	-71.7	170.3	0	0	0	110.7	L333 Q337 L436 N437 L442 L444 Q445	L333-I440 HydrophobicContact CB-CD1 4.42Å; L333-I440 HydrophobicContact CB-CG1 4.21Å; L333-I440 HydrophobicContact CD1-CG1 4.37Å; L333-I440 HydrophobicContact CD2-CG1 4.43Å; Q337-I440 HydrophobicContact CB-CD1 4.21Å; Q337-I440 HydrophobicContact CG-CD1 4.39Å; L436-I440 HydrophobicContact CD1-CD1 4.06Å; L436-I440 HydrophobicContact CD1-CG1 4.35Å; L436-I440 HydrophobicContact CG-CD1 3.91Å; L436-I440 WeakPolarHBondContact O-CG1 3.37Å; L436-I440 PolarHBondContact O-N 3.19Å; N437-I440 PolarHBondContact O-N 3.45Å; I440-L442 PolarHBondContact O-N 3.48Å; I440-L444 HydrophobicContact CG1-CD1 4.48Å; I440-L444 HydrophobicContact CG2-CD1 4.39Å; I440-L444 WeakPolarHBondContact O-CA 3.29Å; I440-L444 WeakPolarHBondContact O-CB 3.03Å; I440-L444 PolarHBondContact O-N 3.25Å; I440-Q445 PolarHBondContact O-N 3.42Å
441	K	93.2	Very high	90.6	Very high	138 Å²	138	66.5 Å²	66.5	60%	0.6	36%	0.363	S	S	*	.	I	π-helix	trans	-60.3	-48.4	179.8	-176.5	179.8	178.3	-179.2	0	111.8	N437 T438 Y439 Q445 G446	N437-K441 WeakPolarHBondContact O-CB 3.46Å; N437-K441 PolarHBondContact O-N 3.46Å; T438-K441 PolarHBondContact O-N 3.34Å; Y439-K441 VanDerWaalsContact C-N 3.33Å; Y439-K441 PolarHBondContact O-N 3.42Å; K441-Q445 CarbonylContact O-C 3.51Å; K441-Q445 PolarHBondContact O-N 2.93Å; K441-G446 PolarHBondContact O-N 3.5Å
442	L	92.1	Very high	90.3	Very high	49 Å²	49	62.5 Å²	62.5	26%	0.257	34%	0.337	S	S	.	.	I	π-helix	trans	-80	-27.3	-174.4	-66.4	179.2	0	0	0	113.8	T438 Y439 I440 V452	T438-L442 HydrophobicContact CG2-CD1 3.73Å; T438-L442 HydrophobicContact CG2-CG 4.33Å; T438-L442 WeakPolarHBondContact O-CB 3.41Å; T438-L442 WeakPolarHBondContact O-CG 3.46Å; T438-L442 PolarHBondContact O-N 2.91Å; Y439-L442 PolarHBondContact O-N 3.27Å; I440-L442 PolarHBondContact O-N 3.48Å; L442-V452 HydrophobicContact CD1-CB 4.29Å; L442-V452 HydrophobicContact CD1-CG1 4.28Å; L442-V452 HydrophobicContact CD1-CG2 3.9Å
443	C	91.2	Very high	90.1	Very high	27 Å²	27	61.1 Å²	61.1	18%	0.182	33%	0.332	C	S	.	.	I	π-helix	trans	-110.9	-20	-170.1	-53.3	0	0	0	0	114.4	Y439 C453	Y439-C443 HydrophobicContact CD1-CB 3.99Å; Y439-C443 HydrophobicContact CE1-CB 3.71Å; Y439-C443 WeakPolarHBondContact O-CB 3.45Å; Y439-C443 PolarHBondContact O-N 3.16Å; Y439-C443 PolarHBondContact O-SG 2.89Å; Y439-C443 VanDerWaalsContact O-SG 3.39Å; C443-C453 WeakPolarHBondContact CA-SG 3.4Å; C443-C453 HydrophobicContact CB-CB 3.82Å; C443-C453 WeakPolarHBondContact CB-SG 3.37Å; C443-C453 WeakPolarHBondContact SG-CA 3.47Å; C443-C453 WeakPolarHBondContact SG-CB 3.35Å; C443-C453 CovalentContact SG-SG 2.03Å; C443-C453 PolarHBondContact SG-SG 3.32Å
444	L	87.2	Confident	89.7	Confident	70 Å²	70	61 Å²	61	37%	0.366	33%	0.33	S	S	.	.	I	π-helix	trans	-113.3	-27	175.5	-61.9	-176.3	0	0	0	114	V329 L333 I440	V329-L444 HydrophobicContact CG1-CD2 4.5Å; L333-L444 HydrophobicContact CB-CD1 4.31Å; L333-L444 HydrophobicContact CD1-CD1 3.65Å; L333-L444 HydrophobicContact CD1-CD2 4.36Å; L333-L444 HydrophobicContact CD1-CG 3.99Å; I440-L444 HydrophobicContact CG1-CD1 4.48Å; I440-L444 HydrophobicContact CG2-CD1 4.39Å; I440-L444 WeakPolarHBondContact O-CA 3.29Å; I440-L444 WeakPolarHBondContact O-CB 3.03Å; I440-L444 PolarHBondContact O-N 3.25Å
445	Q	86.1	Confident	89	Confident	149 Å²	149	61.6 Å²	61.6	70%	0.696	34%	0.336	S	S	*	.	I	π-helix	trans	-118.1	-17.3	-169.2	-61.7	174	-14.2	0	0	114.6	I440 K441	I440-Q445 PolarHBondContact O-N 3.42Å; K441-Q445 CarbonylContact O-C 3.51Å; K441-Q445 PolarHBondContact O-N 2.93Å
446	G	78.4	Confident	87.8	Confident	46 Å²	46	65 Å²	65	47%	0.474	35%	0.348	S	S	.	.	S	Bend	trans	-120	-173.1	-173.2	0	0	0	0	0	113.9	K441 R448	K441-G446 PolarHBondContact O-N 3.5Å; G446-R448 PolarHBondContact O-N 2.74Å
447	S	78.3	Confident	86.2	Confident	112 Å²	112	69.3 Å²	69.3	78%	0.783	37%	0.367	S	S	*	.	S	Bend	trans	-65.4	113.9	167.1	54.7	0	0	0	0	109.2	N449	S447-N449 PolarHBondContact O-N 2.77Å
448	R	82.4	Confident	84.1	Confident	120 Å²	120	68.2 Å²	68.2	45%	0.453	37%	0.366	S	S	.	.			trans	-46.8	125.2	-177.8	-175.2	-176.5	179.1	114.4	9.4	111.6	G446 D450 C453 E454	G446-R448 PolarHBondContact O-N 2.74Å; R448-D450 IonicContact NE-OD1 2.99Å; R448-D450 PolarHBondContact NE-OD1 2.92Å; R448-C453 HydrophobicContact CG-CB 4.13Å; R448-E454 PolarHBondContact NH2-O 3.46Å
449	N	85.3	Confident	81.5	Confident	59 Å²	59	74.3 Å²	74.3	32%	0.316	39%	0.39	S	S	.	.			trans	-107.4	108.4	175	-177.2	-20.3	0	0	0	110	S447 N451 V452 C453	S447-N449 PolarHBondContact O-N 2.77Å; N449-N451 PolarHBondContact O-N 3.21Å; N449-N451 VanDerWaalsContact O-N 3.12Å; N449-N451 WeakPolarHBondContact OD1-CB 3.41Å; N449-N451 PolarHBondContact OD1-N 3.45Å; N449-V452 PolarHBondContact O-N 3.18Å; N449-C453 WeakPolarHBondContact O-CB 3.44Å; N449-C453 PolarHBondContact O-N 3.2Å; N449-C453 PolarHBondContact O-SG 2.88Å
450	D	85.6	Confident	78.6	Confident	107 Å²	107	78.3 Å²	78.3	57%	0.572	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.3	-175.7	-68.4	-27.2	0	0	0	114.5	R448 V452	R448-D450 IonicContact NE-OD1 2.99Å; R448-D450 PolarHBondContact NE-OD1 2.92Å; D450-V452 VanDerWaalsContact C-N 3.3Å
451	N	86.3	Confident	75.9	Confident	124 Å²	124	81.1 Å²	81.1	66%	0.663	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.5	172.6	-64.4	-40.5	0	0	0	112.7	N449	N449-N451 PolarHBondContact O-N 3.21Å; N449-N451 VanDerWaalsContact O-N 3.12Å; N449-N451 WeakPolarHBondContact OD1-CB 3.41Å; N449-N451 PolarHBondContact OD1-N 3.45Å
452	V	90.2	Very high	73	Confident	11 Å²	11	82.5 Å²	82.5	7%	0.067	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-42.8	-179.3	179	0	0	0	0	110.5	H434 Y439 L442 N449 D450	H434-V452 HydrophobicContact CB-CG1 4.2Å; Y439-V452 HydrophobicContact CD2-CG1 3.84Å; Y439-V452 HydrophobicContact CE2-CG1 4.41Å; Y439-V452 WeakPolarHBondContact CE2-O 3.22Å; L442-V452 HydrophobicContact CD1-CB 4.29Å; L442-V452 HydrophobicContact CD1-CG1 4.28Å; L442-V452 HydrophobicContact CD1-CG2 3.9Å; N449-V452 PolarHBondContact O-N 3.18Å; D450-V452 VanDerWaalsContact C-N 3.3Å
453	C	90.9	Very high	70.1	Confident	2 Å²	2	92.2 Å²	92.2	1%	0.014	50%	0.499	C	S	.	.	S	Bend	trans	-82	138.2	-170.5	-53	0	0	0	0	112.3	K357 C443 R448 N449	K357-C453 WeakPolarHBondContact CE-O 3.39Å; C443-C453 WeakPolarHBondContact CA-SG 3.4Å; C443-C453 HydrophobicContact CB-CB 3.82Å; C443-C453 WeakPolarHBondContact CB-SG 3.37Å; C443-C453 WeakPolarHBondContact SG-CA 3.47Å; C443-C453 WeakPolarHBondContact SG-CB 3.35Å; C443-C453 CovalentContact SG-SG 2.03Å; C443-C453 PolarHBondContact SG-SG 3.32Å; R448-C453 HydrophobicContact CG-CB 4.13Å; N449-C453 WeakPolarHBondContact O-CB 3.44Å; N449-C453 PolarHBondContact O-N 3.2Å; N449-C453 PolarHBondContact O-SG 2.88Å
454	E	88.5	Confident	69.1	Low	8 Å²	8	95.5 Å²	95.5	4%	0.037	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-76.1	147.2	173.3	-73.5	-71.1	-174	0	0	110.7	A325 L326 K357 Y439 R448	A325-E454 VanDerWaalsContact O-CB 3.3Å; A325-E454 WeakPolarHBondContact O-CB 3.19Å; L326-E454 HydrophobicContact CD2-CB 3.75Å; L326-E454 HydrophobicContact CD2-CG 4.01Å; L326-E454 HydrophobicContact CG-CB 4.3Å; L326-E454 HydrophobicContact CG-CG 4.13Å; K357-E454 HydrophobicContact CD-CG 3.92Å; K357-E454 WeakPolarHBondContact CD-OE1 3.24Å; K357-E454 WeakPolarHBondContact CD-OE2 3.37Å; K357-E454 WeakPolarHBondContact CE-OE2 3.44Å; K357-E454 IonicContact NZ-OE1 2.66Å; K357-E454 IonicContact NZ-OE2 3.34Å; K357-E454 PolarHBondContact NZ-OE2 3.21Å; Y439-E454 WeakPolarHBondContact OH-CB 3.3Å; Y439-E454 PolarHBondContact OH-N 3.18Å; R448-E454 PolarHBondContact NH2-O 3.46Å
455	V	82.9	Confident	68.1	Low	50 Å²	50	96.8 Å²	96.8	30%	0.303	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-82.6	130.1	178.8	-175.3	0	0	0	0	109.8	A369 R370	A369-V455 HydrophobicContact CB-CB 4.31Å; A369-V455 HydrophobicContact CB-CG2 3.75Å; R370-V455 HydrophobicContact CB-CB 4.32Å; R370-V455 HydrophobicContact CB-CG1 4.5Å; R370-V455 WeakPolarHBondContact CG-O 3.25Å
456	E	70.5	Confident	67.1	Low	127 Å²	127	93.9 Å²	93.9	59%	0.593	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-72.6	163.5	176.4	-67.3	-172.1	171.6	0	0	111.6	S458	E456-S458 PolarHBondContact O-N 3.07Å
457	K	62.9	Low	66.5	Low	91 Å²	91	96.8 Å²	96.8	40%	0.396	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-62.6	121.9	166.1	-159.8	156.8	-154.1	179.7	0	107.1	D123 H459	D123-K457 IonicContact OD1-NZ 2.78Å; D123-K457 PolarHBondContact OD1-NZ 3.02Å; K457-H459 PolarHBondContact O-N 2.78Å
458	S	51.4	Low	65.7	Low	71 Å²	71	95.8 Å²	95.8	50%	0.497	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-65.1	126	155.4	62.9	0	0	0	0	107.5	E456 S460	E456-S458 PolarHBondContact O-N 3.07Å; S458-S460 WeakPolarHBondContact CB-OG 3.34Å; S458-S460 PolarHBondContact O-N 2.99Å; S458-S460 PolarHBondContact OG-O 3.31Å; S458-S460 PolarHBondContact OG-OG 3.35Å
459	H	40	Very low	64.6	Low	191 Å²	191	94.2 Å²	94.2	88%	0.884	50%	0.502	S	S	*	.	S	Bend	trans	-62.6	-18.7	171	-77.7	-74.4	0	0	0	111.9	K457 A461	K457-H459 PolarHBondContact O-N 2.78Å; H459-A461 PolarHBondContact O-N 2.87Å; H459-A461 VanDerWaalsContact O-N 3.09Å
460	S	34	Very low	63.1	Low	87 Å²	87	96.7 Å²	96.7	61%	0.608	52%	0.515	S	S	*	.	S	Bend	trans	-73.2	93.7	163.2	58.8	0	0	0	0	109	S458 L462	S458-S460 WeakPolarHBondContact CB-OG 3.34Å; S458-S460 PolarHBondContact O-N 2.99Å; S458-S460 PolarHBondContact OG-O 3.31Å; S458-S460 PolarHBondContact OG-OG 3.35Å; S460-L462 PolarHBondContact O-N 3.23Å
461	A	36.3	Very low	61.4	Low	64 Å²	64	95.9 Å²	95.9	53%	0.529	51%	0.511	S	S	.	.			trans	-52.3	129.6	156.3	0	0	0	0	0	107.2	H459 H463	H459-A461 PolarHBondContact O-N 2.87Å; H459-A461 VanDerWaalsContact O-N 3.09Å; A461-H463 VanDerWaalsContact C-N 3.34Å; A461-H463 PolarHBondContact O-N 3.26Å
462	L	33.1	Very low	59.4	Low	167 Å²	167	93.6 Å²	93.6	87%	0.874	50%	0.498	S	S	*	.			trans	-53.7	108.8	158.4	-79.8	150.6	0	0	0	105.4	S460	S460-L462 PolarHBondContact O-N 3.23Å
463	H	31.4	Very low	56.5	Low	254 Å²	254	101.1 Å²	101.1	100%	1.176	54%	0.537	S	S	*	.			trans	-69.8	0	176.8	-88.9	-63.8	0	0	0	110.7	A461	A461-H463 VanDerWaalsContact C-N 3.34Å; A461-H463 PolarHBondContact O-N 3.26Å

Retrieved 463 of 463 residues in 171 ms (Link to these results)

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