A0A087XNS7_POEFO Loading...

Lectin, mannose-binding, 1

AlphaFold DB , UniProt , Accession A0A087XNS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 509 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	48.9	Very low	45.9	Very low	250 Å²	250	132.5 Å²	132.5	100%	1.232	73%	0.725	S	S	*	*				0	69.5	0	-72.2	174.3	-175.8	0	0	109.9
2	A	45.6	Very low	46.1	Very low	99 Å²	99	127.3 Å²	127.3	82%	0.818	71%	0.706	S	S	*	*			trans	-137.4	20.3	-169.1	0	0	0	0	0	114.2
3	V	46.4	Very low	46.1	Very low	123 Å²	123	129.7 Å²	129.7	75%	0.745	71%	0.705	S	S	*	*	S	Bend	trans	-125.8	-8.6	-177.4	-172.8	0	0	0	0	113.2
4	S	44.7	Very low	46	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	70%	0.695	S	S	*	*	S	Bend	trans	-90.9	-21.1	-175.8	-151.3	0	0	0	0	115
5	N	43.3	Very low	46	Very low	134 Å²	134	123.1 Å²	123.1	72%	0.717	68%	0.678	S	S	*	*	S	Bend	trans	-90	-14.5	-174.3	-73.8	-1.6	0	0	0	114.3
6	A	42.6	Very low	45.8	Very low	64 Å²	64	117.9 Å²	117.9	53%	0.529	66%	0.661	S	S	.	*	H	α-helix	trans	-77.5	-27.3	179.6	0	0	0	0	0	113	I10	A6-I10 WeakPolarHBondContact O-CG1 3.41Å
7	R	44.6	Very low	45.6	Very low	197 Å²	197	116.3 Å²	116.3	74%	0.743	65%	0.65	S	S	*	*	H	α-helix	trans	-76.2	-29.5	-179.5	-73.6	-172.7	174	-173.3	-1.6	113.3	L11	R7-L11 PolarHBondContact O-N 3.2Å
8	V	48.6	Very low	45.5	Very low	97 Å²	97	115.1 Å²	115.1	59%	0.588	65%	0.646	S	S	*	*	H	α-helix	trans	-74.6	-35.2	-179	-179.5	0	0	0	0	111.6	S12	V8-S12 PolarHBondContact O-N 3.1Å; V8-S12 PolarHBondContact O-OG 3.42Å
9	F	44.7	Very low	45.2	Very low	159 Å²	159	117.6 Å²	117.6	70%	0.697	65%	0.649	S	S	*	*	H	α-helix	trans	-74.1	-32.4	177.8	-89.4	-79.9	0	0	0	113.6	S12 F13	F9-S12 WeakPolarHBondContact CA-OG 3.49Å; F9-S12 PolarHBondContact O-OG 3.14Å; F9-F13 PolarHBondContact O-N 3.18Å
10	I	50.1	Low	44.7	Very low	108 Å²	108	119.6 Å²	119.6	55%	0.554	65%	0.653	S	S	*	*	H	α-helix	trans	-73.7	-35.4	178.1	-65.2	171.3	0	0	0	111.3	A6 L14	A6-I10 WeakPolarHBondContact O-CG1 3.41Å; I10-L14 HydrophobicContact CG2-CD1 4.01Å; I10-L14 PolarHBondContact O-N 3.27Å; I10-L14 VanDerWaalsContact O-N 3.14Å
11	L	45.8	Very low	44.5	Very low	128 Å²	128	124.1 Å²	124.1	67%	0.67	66%	0.661	S	S	*	*	H	α-helix	trans	-69.9	-32.7	176.1	-88.7	155.2	0	0	0	113.2	R7 A15	R7-L11 PolarHBondContact O-N 3.2Å; L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 3.36Å
12	S	47.8	Very low	43.9	Very low	70 Å²	70	116.8 Å²	116.8	49%	0.49	63%	0.634	S	S	.	*	H	α-helix	trans	-77.5	-29.5	176.3	33.3	0	0	0	0	112.9	V8 F9 G16	V8-S12 PolarHBondContact O-N 3.1Å; V8-S12 PolarHBondContact O-OG 3.42Å; F9-S12 WeakPolarHBondContact CA-OG 3.49Å; F9-S12 PolarHBondContact O-OG 3.14Å; S12-G16 PolarHBondContact O-N 3.39Å
13	F	46.3	Very low	43.5	Very low	159 Å²	159	118.9 Å²	118.9	70%	0.697	63%	0.631	S	S	*	*	H	α-helix	trans	-74.9	-35.5	174.5	-138.9	-96.4	0	0	0	112.8	F9 G16 L17	F9-F13 PolarHBondContact O-N 3.18Å; F13-G16 PolarHBondContact O-N 3.48Å; F13-L17 HydrophobicContact CD1-CD1 3.98Å; F13-L17 HydrophobicContact CE1-CD1 4.23Å; F13-L17 PolarHBondContact O-N 3.18Å
14	L	44.7	Very low	43.1	Very low	107 Å²	107	116.6 Å²	116.6	56%	0.56	63%	0.625	S	S	*	*	H	α-helix	trans	-72.2	-34.1	175.1	-84.1	158.8	0	0	0	112.7	I10 L17 V18	I10-L14 HydrophobicContact CG2-CD1 4.01Å; I10-L14 PolarHBondContact O-N 3.27Å; I10-L14 VanDerWaalsContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 2.71Å; L14-V18 WeakPolarHBondContact O-CG2 3.45Å; L14-V18 PolarHBondContact O-N 3.3Å; L14-V18 VanDerWaalsContact O-N 3.1Å
15	A	46.7	Very low	42.8	Very low	53 Å²	53	119.3 Å²	119.3	44%	0.438	63%	0.632	S	S	.	*	H	α-helix	trans	-67.3	-35.4	173.4	0	0	0	0	0	112.3	L11 F19	L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 3.36Å; A15-F19 PolarHBondContact O-N 2.91Å; A15-F19 VanDerWaalsContact O-N 3.09Å
16	G	42.3	Very low	42.3	Very low	40 Å²	40	119.2 Å²	119.2	41%	0.412	64%	0.636	S	S	.	*	H	α-helix	trans	-66.9	-38.2	173.7	0	0	0	0	0	113.5	S12 F13 F19 H20	S12-G16 PolarHBondContact O-N 3.39Å; F13-G16 PolarHBondContact O-N 3.48Å; G16-F19 PolarHBondContact O-N 3.47Å; G16-H20 WeakPolarHBondContact O-CB 3.4Å; G16-H20 PolarHBondContact O-N 3.49Å
17	L	42.7	Very low	41.9	Very low	91 Å²	91	119.6 Å²	119.6	48%	0.476	64%	0.639	S	S	.	*	H	α-helix	trans	-74.2	-29.3	178.2	-95.5	149.6	0	0	0	113.8	F13 L14 R21	F13-L17 HydrophobicContact CD1-CD1 3.98Å; F13-L17 HydrophobicContact CE1-CD1 4.23Å; F13-L17 PolarHBondContact O-N 3.18Å; L14-L17 PolarHBondContact O-N 2.71Å; L17-R21 PolarHBondContact O-N 3.09Å
18	V	44.1	Very low	41.3	Very low	95 Å²	95	116.3 Å²	116.3	58%	0.576	64%	0.64	S	S	*	*	H	α-helix	trans	-76.6	-34.9	172.9	176.8	0	0	0	0	111.1	L14 R21 S22	L14-V18 WeakPolarHBondContact O-CG2 3.45Å; L14-V18 PolarHBondContact O-N 3.3Å; L14-V18 VanDerWaalsContact O-N 3.1Å; V18-R21 PolarHBondContact O-N 3.29Å; V18-S22 PolarHBondContact O-N 3.27Å
19	F	39.3	Very low	40.7	Very low	162 Å²	162	120.7 Å²	120.7	71%	0.711	65%	0.654	S	S	*	*	H	α-helix	trans	-76.2	-25.4	173.2	-94	-86.3	0	0	0	114.2	A15 G16	A15-F19 PolarHBondContact O-N 2.91Å; A15-F19 VanDerWaalsContact O-N 3.09Å; G16-F19 PolarHBondContact O-N 3.47Å
20	H	35	Very low	40.1	Very low	157 Å²	157	115.2 Å²	115.2	73%	0.727	64%	0.643	S	S	*	*	H	α-helix	trans	-80.9	-12.4	171.3	-100.3	7.1	0	0	0	114.6	G16	G16-H20 WeakPolarHBondContact O-CB 3.4Å; G16-H20 PolarHBondContact O-N 3.49Å
21	R	40	Very low	39.6	Very low	216 Å²	216	115.4 Å²	115.4	82%	0.815	65%	0.654	S	S	*	*	H	α-helix	trans	-98.4	-4.3	171.7	-80	-164.9	171.6	-161.7	-1	114.9	L17 V18	L17-R21 PolarHBondContact O-N 3.09Å; V18-R21 PolarHBondContact O-N 3.29Å
22	S	35.9	Very low	39.4	Very low	96 Å²	96	116.1 Å²	116.1	67%	0.671	66%	0.659	S	S	*	*	S	Bend	trans	-99.9	4.7	170.3	-74	0	0	0	0	114.4	V18 A24	V18-S22 PolarHBondContact O-N 3.27Å; S22-A24 PolarHBondContact O-N 3.41Å
23	L	38.3	Very low	39.4	Very low	142 Å²	142	118.4 Å²	118.4	74%	0.743	67%	0.672	S	S	*	*			trans	-91.2	49.6	154.7	-88.9	139.7	0	0	0	109	N25	L23-N25 PolarHBondContact O-N 3.47Å
24	A	36.9	Very low	40.3	Very low	75 Å²	75	117.6 Å²	117.6	62%	0.62	67%	0.67	S	S	*	*			trans	-61.3	123.1	148.2	0	0	0	0	0	105	S22 V26	S22-A24 PolarHBondContact O-N 3.41Å; A24-V26 PolarHBondContact O-N 2.89Å
25	N	38.9	Very low	41.9	Very low	156 Å²	156	119.1 Å²	119.1	83%	0.834	67%	0.674	S	S	*	*			trans	-34.9	100.3	170.9	-86.4	-17.2	0	0	0	109.8	L23 A27	L23-N25 PolarHBondContact O-N 3.47Å; N25-A27 PolarHBondContact O-N 3.06Å
26	V	34.1	Very low	43.8	Very low	131 Å²	131	121.5 Å²	121.5	79%	0.794	69%	0.685	S	S	*	*			trans	-66.3	87.2	138.9	177.2	0	0	0	0	101.7	A24 V28	A24-V26 PolarHBondContact O-N 2.89Å; V26-V28 PolarHBondContact O-N 2.9Å
27	A	32.6	Very low	46.1	Very low	73 Å²	73	121.4 Å²	121.4	60%	0.603	68%	0.677	S	S	*	*			trans	-51.6	103.8	154	0	0	0	0	0	102.8	N25 E29	N25-A27 PolarHBondContact O-N 3.06Å; A27-E29 PolarHBondContact O-N 3.17Å
28	V	33.1	Very low	48.4	Very low	127 Å²	127	121.7 Å²	121.7	77%	0.77	68%	0.676	S	S	*	*			trans	-46.3	108.8	149	176.9	0	0	0	0	102	V26 G30	V26-V28 PolarHBondContact O-N 2.9Å; V28-G30 PolarHBondContact O-N 3.16Å
29	E	34.7	Very low	50.7	Low	189 Å²	189	122.1 Å²	122.1	88%	0.883	67%	0.667	S	S	*	*			trans	-60.1	73.5	158.8	-81.8	179.3	156.6	0	0	104.9	A27 S31	A27-E29 PolarHBondContact O-N 3.17Å; E29-S31 VanDerWaalsContact C-N 3.31Å; E29-S31 PolarHBondContact O-N 3.08Å; E29-S31 VanDerWaalsContact O-N 3.12Å
30	G	33.6	Very low	53	Low	45 Å²	45	117.2 Å²	117.2	46%	0.464	64%	0.644	S	S	.	*			trans	-54.5	115.7	145.3	0	0	0	0	0	101.9	V28 N32	V28-G30 PolarHBondContact O-N 3.16Å; G30-N32 PolarHBondContact O-N 3.43Å
31	S	38.9	Very low	55.6	Low	111 Å²	111	114 Å²	114	78%	0.776	63%	0.628	S	S	*	*			trans	-42.6	94.5	162.5	50.1	0	0	0	0	106.7	E29 P33	E29-S31 VanDerWaalsContact C-N 3.31Å; E29-S31 PolarHBondContact O-N 3.08Å; E29-S31 VanDerWaalsContact O-N 3.12Å; S31-P33 WeakPolarHBondContact O-CD 3.33Å; S31-P33 VanDerWaalsContact O-N 3.14Å
32	N	42.1	Very low	58.1	Low	144 Å²	144	104.4 Å²	104.4	77%	0.77	59%	0.593	S	S	*	*			trans	-53.2	124.8	161.9	-86	-27.8	0	0	0	103	G30 E34	G30-N32 PolarHBondContact O-N 3.43Å; N32-E34 PolarHBondContact O-N 2.79Å
33	P	46.7	Very low	60.6	Low	118 Å²	118	103 Å²	103	77%	0.766	57%	0.573	S	S	*	*			trans	-51.3	114.4	171.8	20.6	-29	0	0	0	105.4	S31 E35	S31-P33 WeakPolarHBondContact O-CD 3.33Å; S31-P33 VanDerWaalsContact O-N 3.14Å; P33-E35 PolarHBondContact O-N 2.98Å
34	E	66.5	Low	63.1	Low	141 Å²	141	99.4 Å²	99.4	66%	0.659	55%	0.552	S	S	*	*			trans	-52.7	114.6	-174	-159.4	176.6	-172.5	0	0	105.9	N32 R204	N32-E34 PolarHBondContact O-N 2.79Å; E34-R204 IonicContact OE1-CZ 2.74Å; E34-R204 IonicContact OE1-NH1 3.8Å; E34-R204 PolarHBondContact OE1-NH1 2.87Å; E34-R204 IonicContact OE1-NH2 2.72Å
35	E	78.6	Confident	65.8	Low	140 Å²	140	97.3 Å²	97.3	65%	0.654	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-55.6	133.4	-174.7	-172	176.8	-179.4	0	0	107.5	P33 P265	P33-E35 PolarHBondContact O-N 2.98Å; E35-P265 HydrophobicContact CB-CB 3.98Å; E35-P265 HydrophobicContact CB-CG 3.99Å; E35-P265 WeakPolarHBondContact O-CG 3.37Å
36	P	84.9	Confident	68.6	Low	103 Å²	103	90.4 Å²	90.4	67%	0.669	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-61.9	144.6	-177.5	24.7	-33.7	0	0	0	109.9	H38	P36-H38 PolarHBondContact O-N 3.48Å
37	P	91.5	Very high	71.4	Confident	37 Å²	37	84.8 Å²	84.8	24%	0.24	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-59.9	142.5	178.5	25.7	-33.9	0	0	0	110.5	R39 Y203 L262 T263	P37-R39 PolarHBondContact O-N 2.73Å; P37-Y203 HydrophobicContact CB-CD2 4.35Å; P37-Y203 HydrophobicContact CB-CE2 3.63Å; P37-Y203 HydrophobicContact CG-CD2 4.37Å; P37-Y203 HydrophobicContact CG-CE2 4.02Å; P37-L262 HydrophobicContact CB-CB 4.37Å; P37-T263 CarbonylContact C-O 3.58Å; P37-T263 WeakPolarHBondContact CA-O 3.3Å; P37-T263 WeakPolarHBondContact CB-O 3.49Å
38	H	90.4	Very high	74.2	Confident	97 Å²	97	87.4 Å²	87.4	45%	0.449	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	125.2	176.6	172.9	-83.9	0	0	0	109.8	P36 L262 T263	P36-H38 PolarHBondContact O-N 3.48Å; H38-L262 WeakPolarHBondContact O-CA 3.36Å; H38-T263 PolarHBondContact N-O 2.98Å; H38-T263 PolarHBondContact O-N 3.21Å
39	R	91.9	Very high	76.4	Confident	105 Å²	105	82.5 Å²	82.5	40%	0.396	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.5	179.6	-60.5	175.5	70.2	-151	-0.9	110.1	P37 E100 E102 L262	P37-R39 PolarHBondContact O-N 2.73Å; R39-E100 IonicContact CZ-OE1 3.79Å; R39-E100 IonicContact NE-OE1 3.19Å; R39-E100 PolarHBondContact NE-OE1 3.19Å; R39-E100 IonicContact NH2-OE1 2.88Å; R39-E100 PolarHBondContact NH2-OE1 2.79Å; R39-E102 IonicContact CZ-OE1 2.69Å; R39-E102 IonicContact NH1-OE1 3.74Å; R39-E102 IonicContact NH2-OE1 4Å; R39-E102 PolarHBondContact NH2-OE1 2.93Å; R39-L262 HydrophobicContact CB-CD2 4.32Å; R39-L262 HydrophobicContact CG-CD2 3.62Å
40	R	87.9	Confident	78.5	Confident	58 Å²	58	78.1 Å²	78.1	22%	0.219	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.3	171.9	176.1	177.6	167.2	-167.5	-15.1	110	E42 F260 R261 E275	R40-E42 IonicContact CZ-OE1 3.57Å; R40-E42 IonicContact NE-OE1 3.16Å; R40-F260 CarbonylContact O-C 3.53Å; R40-F260 WeakPolarHBondContact O-CA 3.5Å; R40-R261 HydrophobicContact CB-CB 4.49Å; R40-R261 PolarHBondContact N-O 2.87Å; R40-R261 PolarHBondContact O-N 2.79Å; R40-E275 IonicContact CZ-OE2 3.71Å; R40-E275 IonicContact NH1-OE2 2.88Å; R40-E275 PolarHBondContact NH1-OE2 2.9Å; R40-E275 IonicContact NH2-OE2 3.58Å; R40-E275 PolarHBondContact NH2-OE2 3.09Å
41	F	91.3	Very high	80.5	Confident	90 Å²	90	82.8 Å²	82.8	40%	0.395	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	136.2	176.7	178.9	-113.3	0	0	0	112	S46 L258 F260	F41-S46 VanDerWaalsContact CE2-OG 3.27Å; F41-S46 WeakPolarHBondContact CE2-OG 3.3Å; F41-L258 HydrophobicContact CE2-CB 4.16Å; F41-L258 HydrophobicContact CE2-CD2 3.96Å; F41-L258 HydrophobicContact CZ-CD2 4.34Å; F41-F260 HydrophobicContact CB-CD1 3.98Å; F41-F260 HydrophobicContact CB-CE1 3.86Å; F41-F260 HydrophobicContact CD2-CD1 4.2Å; F41-F260 AromaticContact CD2-CE1 3.74Å; F41-F260 HydrophobicContact CD2-CE1 3.74Å; F41-F260 AromaticContact CD2-CZ 3.94Å; F41-F260 HydrophobicContact CD2-CZ 3.94Å; F41-F260 HydrophobicContact CG-CE1 4.25Å
42	E	92.4	Very high	82.7	Confident	15 Å²	15	77.8 Å²	77.8	7%	0.07	39%	0.391	C	S	.	.			trans	-118.8	90.7	-175.7	-63.9	-69.3	173.5	0	0	111	R40 K44 Y45 S46 F96 L259 R261	R40-E42 IonicContact CZ-OE1 3.57Å; R40-E42 IonicContact NE-OE1 3.16Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 PolarHBondContact O-N 3.4Å; E42-Y45 HydrophobicContact CB-CD2 4.05Å; E42-Y45 PolarHBondContact O-N 3.01Å; E42-S46 PolarHBondContact O-OG 3.33Å; E42-F96 HydrophobicContact CB-CE2 4.22Å; E42-F96 HydrophobicContact CB-CZ 4.3Å; E42-F96 HydrophobicContact CG-CE2 3.66Å; E42-F96 HydrophobicContact CG-CZ 3.61Å; E42-L259 PolarHBondContact N-O 2.91Å; E42-R261 HydrophobicContact CG-CB 4.01Å
43	Y	86.7	Confident	84.7	Confident	65 Å²	65	72.4 Å²	72.4	26%	0.255	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.1	-31.6	-173.1	72.4	-91.9	0	0	0	113.8	Y45 S46 F61 Y284	Y43-Y45 PolarHBondContact O-N 2.98Å; Y43-Y45 VanDerWaalsContact O-N 3.13Å; Y43-S46 PolarHBondContact O-N 3.39Å; Y43-F61 AromaticContact CD2-CE2 3.89Å; Y43-F61 HydrophobicContact CD2-CE2 3.89Å; Y43-F61 HydrophobicContact CD2-CZ 4.1Å; Y43-F61 HydrophobicContact CE2-CE2 4.13Å; Y43-F61 AromaticContact CE2-CZ 3.85Å; Y43-F61 HydrophobicContact CE2-CZ 3.85Å; Y43-Y284 PolarHBondContact OH-OH 2.91Å
44	K	90.7	Very high	86.4	Confident	68 Å²	68	71.8 Å²	71.8	30%	0.296	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-65.3	-14.3	179.7	-65	-174.2	-178.9	-177.7	0	113.2	E42 F61	E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 PolarHBondContact O-N 3.4Å; K44-F61 HydrophobicContact CG-CE1 4.45Å; K44-F61 WeakPolarHBondContact O-CB 3.38Å
45	Y	95.6	Very high	87.1	Confident	31 Å²	31	71.8 Å²	71.8	12%	0.122	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-126.9	27.7	-179.7	-47.3	-69.4	0	0	0	111.1	E42 Y43 W62 T90 N92 K93 V94 F96 L259	E42-Y45 HydrophobicContact CB-CD2 4.05Å; E42-Y45 PolarHBondContact O-N 3.01Å; Y43-Y45 PolarHBondContact O-N 2.98Å; Y43-Y45 VanDerWaalsContact O-N 3.13Å; Y45-W62 VanDerWaalsContact O-CZ2 3.28Å; Y45-W62 WeakPolarHBondContact O-CZ2 3.23Å; Y45-T90 HydrophobicContact CD1-CG2 3.96Å; Y45-N92 HydrophobicContact CE1-CB 4.22Å; Y45-N92 WeakPolarHBondContact CE1-O 3.23Å; Y45-K93 PolarHBondContact OH-O 2.93Å; Y45-V94 HydrophobicContact CD1-CG2 3.28Å; Y45-V94 HydrophobicContact CD2-CG2 3.7Å; Y45-V94 HydrophobicContact CE1-CB 4.48Å; Y45-V94 HydrophobicContact CE1-CG2 3.38Å; Y45-V94 HydrophobicContact CE2-CG2 3.8Å; Y45-V94 HydrophobicContact CG-CG2 3.44Å; Y45-V94 VanDerWaalsContact CG-CG2 3.44Å; Y45-F96 HydrophobicContact CD2-CE2 4.18Å; Y45-F96 HydrophobicContact CD2-CZ 4.13Å; Y45-F96 HydrophobicContact CE2-CE2 4.28Å; Y45-F96 AromaticContact CE2-CZ 3.83Å; Y45-F96 HydrophobicContact CE2-CZ 3.83Å; Y45-L259 VanDerWaalsContact CB-CD2 3.43Å; Y45-L259 HydrophobicContact CD2-CD2 3.9Å; Y45-L259 HydrophobicContact CG-CD2 3.9Å
46	S	95.8	Very high	87.5	Confident	10 Å²	10	70.8 Å²	70.8	7%	0.07	37%	0.366	C	S	.	.			trans	-134.5	151.9	-178.3	-58.8	0	0	0	0	111	F41 E42 Y43 W62 F257 L259	F41-S46 VanDerWaalsContact CE2-OG 3.27Å; F41-S46 WeakPolarHBondContact CE2-OG 3.3Å; E42-S46 PolarHBondContact O-OG 3.33Å; Y43-S46 PolarHBondContact O-N 3.39Å; S46-W62 PolarHBondContact O-NE1 2.74Å; S46-F257 CarbonylContact C-O 3.44Å; S46-F257 WeakPolarHBondContact CA-O 3.39Å; S46-F257 WeakPolarHBondContact CB-O 2.94Å; S46-L259 PolarHBondContact OG-N 3.33Å
47	F	94.1	Very high	87.3	Confident	13 Å²	13	67.5 Å²	67.5	6%	0.057	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150.1	166.5	66.6	-105.9	0	0	0	110.2	L52 I59 W62 V75 V88 V254 S256 F257	F47-L52 HydrophobicContact CB-CG 4.4Å; F47-L52 HydrophobicContact CD2-CD1 3.52Å; F47-L52 HydrophobicContact CD2-CG 4.1Å; F47-L52 HydrophobicContact CE2-CD1 4.04Å; F47-L52 HydrophobicContact CG-CD1 4.44Å; F47-I59 HydrophobicContact CB-CG2 3.98Å; F47-I59 HydrophobicContact CD1-CG2 4.44Å; F47-I59 HydrophobicContact CG-CG2 4.33Å; F47-W62 AromaticContact CD1-CD1 3.95Å; F47-W62 AromaticContact CD1-CD2 3.75Å; F47-W62 HydrophobicContact CD1-CD2 3.75Å; F47-W62 AromaticContact CD1-CE2 3.51Å; F47-W62 HydrophobicContact CD1-CE3 4.26Å; F47-W62 HydrophobicContact CD1-CG 4.05Å; F47-W62 HydrophobicContact CD1-CH2 4.32Å; F47-W62 AromaticContact CD1-CZ2 3.81Å; F47-W62 HydrophobicContact CD1-CZ2 3.81Å; F47-W62 AromaticContact CD1-NE1 3.69Å; F47-W62 HydrophobicContact CE1-CD2 4.08Å; F47-W62 HydrophobicContact CE1-CE3 4.11Å; F47-W62 HydrophobicContact CE1-CH2 4.11Å; F47-W62 HydrophobicContact CE1-CZ2 4.07Å; F47-W62 HydrophobicContact CE1-CZ3 4.13Å; F47-V75 HydrophobicContact CE2-CG2 4.14Å; F47-V75 HydrophobicContact CZ-CG2 4.45Å; F47-V88 HydrophobicContact CE1-CG1 4.18Å; F47-V254 HydrophobicContact CE2-CB 4.47Å; F47-V254 HydrophobicContact CE2-CG1 3.84Å; F47-V254 HydrophobicContact CZ-CB 4.39Å; F47-V254 HydrophobicContact CZ-CG1 3.71Å; F47-S256 CarbonylContact O-C 3.52Å; F47-S256 VanDerWaalsContact O-CA 3.25Å; F47-S256 WeakPolarHBondContact O-CA 3.37Å; F47-S256 WeakPolarHBondContact O-CB 3.42Å; F47-F257 HydrophobicContact CD1-CB 3.87Å; F47-F257 HydrophobicContact CD2-CB 4.48Å; F47-F257 HydrophobicContact CE1-CB 3.52Å; F47-F257 HydrophobicContact CE1-CG 4.4Å; F47-F257 HydrophobicContact CE2-CB 4.2Å; F47-F257 HydrophobicContact CG-CB 4.34Å; F47-F257 HydrophobicContact CZ-CB 3.72Å; F47-F257 PolarHBondContact N-O 3.21Å; F47-F257 PolarHBondContact O-N 2.76Å; F47-F257 VanDerWaalsContact O-O 3.11Å
48	K	90.9	Very high	87.3	Confident	129 Å²	129	66.5 Å²	66.5	56%	0.561	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161	156.1	173.2	61.9	175.7	-177.1	-179.6	0	110.3	L258	K48-L258 HydrophobicContact CB-CD2 4.21Å; K48-L258 HydrophobicContact CD-CD2 4.13Å; K48-L258 HydrophobicContact CG-CD2 4.4Å
49	G	78.7	Confident	87.5	Confident	24 Å²	24	62 Å²	62	25%	0.247	33%	0.327	C	S	.	.	S	Bend	trans	-76.2	171.5	164.2	0	0	0	0	0	113.4
50	P	80.5	Confident	87.5	Confident	97 Å²	97	59 Å²	59	63%	0.63	32%	0.321	S	S	*	.	S	Bend	cis	-74	162.2	-11	32	-34.8	0	0	0	112	A72	P50-A72 CarbonylContact C-O 3.31Å
51	H	75.4	Confident	87.8	Confident	143 Å²	143	59.7 Å²	59.7	66%	0.662	33%	0.326	S	S	*	.	S	Bend	trans	66.5	37.4	-176.7	-48.4	-65.7	0	0	0	115.4	A72	H51-A72 PolarHBondContact N-O 3.31Å
52	L	83.3	Confident	88.1	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	31%	0.308	C	S	.	.			trans	-61.3	-50.4	177	-175.8	164.7	0	0	0	112	F47 I59 P60 A72 V75	F47-L52 HydrophobicContact CB-CG 4.4Å; F47-L52 HydrophobicContact CD2-CD1 3.52Å; F47-L52 HydrophobicContact CD2-CG 4.1Å; F47-L52 HydrophobicContact CE2-CD1 4.04Å; F47-L52 HydrophobicContact CG-CD1 4.44Å; L52-I59 HydrophobicContact CD2-CB 4.49Å; L52-I59 HydrophobicContact CD2-CD1 4.11Å; L52-I59 HydrophobicContact CD2-CG1 3.81Å; L52-I59 HydrophobicContact CD2-CG2 4.03Å; L52-P60 WeakPolarHBondContact O-CD 3.37Å; L52-A72 WeakPolarHBondContact CB-O 3.46Å; L52-A72 PolarHBondContact N-O 3.42Å; L52-V75 HydrophobicContact CD1-CG2 3.91Å; L52-V75 HydrophobicContact CD2-CG2 3.56Å; L52-V75 HydrophobicContact CG-CG2 4.42Å
53	S	85.2	Confident	88.3	Confident	31 Å²	31	57.2 Å²	57.2	22%	0.217	32%	0.317	C	S	.	.	S	Bend	trans	-85.6	133.8	177.9	64.7	0	0	0	0	111.8	G58 S71 A72	S53-G58 WeakPolarHBondContact CA-O 3.36Å; S53-S71 WeakPolarHBondContact CB-O 3.43Å; S53-S71 PolarHBondContact N-O 3.2Å; S53-S71 PolarHBondContact OG-O 2.9Å; S53-A72 PolarHBondContact OG-N 2.93Å
54	Q	82.6	Confident	88.8	Confident	106 Å²	106	57.8 Å²	57.8	50%	0.495	32%	0.321	S	S	.	.			trans	-71.9	168.9	169.7	-71.6	-175	-22.6	0	0	111.4	D56 G57 G58 P60	Q54-D56 WeakPolarHBondContact CB-OD1 3.36Å; Q54-D56 PolarHBondContact O-N 3.32Å; Q54-D56 VanDerWaalsContact O-N 3.15Å; Q54-G57 PolarHBondContact O-N 3.36Å; Q54-G58 PolarHBondContact N-O 3.35Å; Q54-P60 HydrophobicContact CG-CG 3.99Å
55	S	81.8	Confident	89.1	Confident	140 Å²	140	56.3 Å²	56.3	98%	0.979	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.4	179.7	50.5	0	0	0	0	113.9	G57	S55-G57 VanDerWaalsContact C-N 3.33Å
56	D	85.2	Confident	89.1	Confident	120 Å²	120	57.5 Å²	57.5	64%	0.642	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	1.9	173.9	68.8	-13.6	0	0	0	113.3	Q54 G58	Q54-D56 WeakPolarHBondContact CB-OD1 3.36Å; Q54-D56 PolarHBondContact O-N 3.32Å; Q54-D56 VanDerWaalsContact O-N 3.15Å; D56-G58 PolarHBondContact O-N 3.4Å; D56-G58 WeakPolarHBondContact OD1-CA 3.32Å; D56-G58 PolarHBondContact OD1-N 2.94Å
57	G	82.4	Confident	89.2	Confident	33 Å²	33	60 Å²	60	34%	0.34	35%	0.354	S	S	.	.	S	Bend	trans	77.8	3.1	-175.3	0	0	0	0	0	114.1	Q54 S55 H64	Q54-G57 PolarHBondContact O-N 3.36Å; S55-G57 VanDerWaalsContact C-N 3.33Å; G57-H64 PolarHBondContact O-CE1 3.5Å
58	G	90.1	Very high	89.3	Confident	17 Å²	17	59.8 Å²	59.8	18%	0.175	35%	0.354	C	S	.	.			trans	-76.5	155.6	177.1	0	0	0	0	0	113	S53 Q54 D56	S53-G58 WeakPolarHBondContact CA-O 3.36Å; Q54-G58 PolarHBondContact N-O 3.35Å; D56-G58 PolarHBondContact O-N 3.4Å; D56-G58 WeakPolarHBondContact OD1-CA 3.32Å; D56-G58 PolarHBondContact OD1-N 2.94Å
59	I	94.8	Very high	89.6	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-104.9	122.3	168.2	-52.9	171.3	0	0	0	106.8	F47 L52 F61 W62 H64 P70 V75 V88	F47-I59 HydrophobicContact CB-CG2 3.98Å; F47-I59 HydrophobicContact CD1-CG2 4.44Å; F47-I59 HydrophobicContact CG-CG2 4.33Å; L52-I59 HydrophobicContact CD2-CB 4.49Å; L52-I59 HydrophobicContact CD2-CD1 4.11Å; L52-I59 HydrophobicContact CD2-CG1 3.81Å; L52-I59 HydrophobicContact CD2-CG2 4.03Å; I59-F61 PolarHBondContact O-N 3.08Å; I59-W62 HydrophobicContact CB-CB 3.98Å; I59-W62 HydrophobicContact CG2-CB 3.83Å; I59-W62 HydrophobicContact CG2-CG 4.19Å; I59-W62 PolarHBondContact O-N 3.26Å; I59-W62 VanDerWaalsContact O-N 3.12Å; I59-H64 HydrophobicContact CD1-CB 4.47Å; I59-P70 HydrophobicContact CD1-CB 4.06Å; I59-P70 HydrophobicContact CD1-CG 3.87Å; I59-P70 HydrophobicContact CG1-CB 3.85Å; I59-P70 HydrophobicContact CG1-CG 3.89Å; I59-V75 HydrophobicContact CD1-CG1 4.31Å; I59-V75 HydrophobicContact CD1-CG2 3.57Å; I59-V88 HydrophobicContact CD1-CG1 3.77Å; I59-V88 HydrophobicContact CD1-CG2 4.44Å
60	P	91.4	Very high	90.3	Very high	43 Å²	43	58.3 Å²	58.3	28%	0.279	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	131.4	179.4	-24.2	32.2	0	0	0	111.1	L52 Q54 W62	L52-P60 WeakPolarHBondContact O-CD 3.37Å; Q54-P60 HydrophobicContact CG-CG 3.99Å; P60-W62 VanDerWaalsContact O-CD1 3.22Å; P60-W62 PolarHBondContact O-N 2.97Å
61	F	94.6	Very high	90.7	Very high	72 Å²	72	56 Å²	56	32%	0.316	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-2.3	-178.8	-41	-71	0	0	0	117.4	Y43 K44 I59 K91	Y43-F61 AromaticContact CD2-CE2 3.89Å; Y43-F61 HydrophobicContact CD2-CE2 3.89Å; Y43-F61 HydrophobicContact CD2-CZ 4.1Å; Y43-F61 HydrophobicContact CE2-CE2 4.13Å; Y43-F61 AromaticContact CE2-CZ 3.85Å; Y43-F61 HydrophobicContact CE2-CZ 3.85Å; K44-F61 HydrophobicContact CG-CE1 4.45Å; K44-F61 WeakPolarHBondContact O-CB 3.38Å; I59-F61 PolarHBondContact O-N 3.08Å; F61-K91 WeakPolarHBondContact O-CB 3.5Å; F61-K91 WeakPolarHBondContact O-CG 3.41Å; F61-K91 PolarHBondContact O-N 2.91Å
62	W	97.6	Very high	91.2	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.011	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.9	178.9	-64.6	78.7	0	0	0	111.2	Y45 S46 F47 I59 P60 V88 W89 T90 K91 F239 F257	Y45-W62 VanDerWaalsContact O-CZ2 3.28Å; Y45-W62 WeakPolarHBondContact O-CZ2 3.23Å; S46-W62 PolarHBondContact O-NE1 2.74Å; F47-W62 AromaticContact CD1-CD1 3.95Å; F47-W62 AromaticContact CD1-CD2 3.75Å; F47-W62 HydrophobicContact CD1-CD2 3.75Å; F47-W62 AromaticContact CD1-CE2 3.51Å; F47-W62 HydrophobicContact CD1-CE3 4.26Å; F47-W62 HydrophobicContact CD1-CG 4.05Å; F47-W62 HydrophobicContact CD1-CH2 4.32Å; F47-W62 AromaticContact CD1-CZ2 3.81Å; F47-W62 HydrophobicContact CD1-CZ2 3.81Å; F47-W62 AromaticContact CD1-NE1 3.69Å; F47-W62 HydrophobicContact CE1-CD2 4.08Å; F47-W62 HydrophobicContact CE1-CE3 4.11Å; F47-W62 HydrophobicContact CE1-CH2 4.11Å; F47-W62 HydrophobicContact CE1-CZ2 4.07Å; F47-W62 HydrophobicContact CE1-CZ3 4.13Å; I59-W62 HydrophobicContact CB-CB 3.98Å; I59-W62 HydrophobicContact CG2-CB 3.83Å; I59-W62 HydrophobicContact CG2-CG 4.19Å; I59-W62 PolarHBondContact O-N 3.26Å; I59-W62 VanDerWaalsContact O-N 3.12Å; P60-W62 VanDerWaalsContact O-CD1 3.22Å; P60-W62 PolarHBondContact O-N 2.97Å; W62-V88 HydrophobicContact CB-CG1 3.99Å; W62-V88 HydrophobicContact CD2-CG1 4.32Å; W62-V88 HydrophobicContact CE3-CG1 3.77Å; W62-V88 HydrophobicContact CG-CG1 4.45Å; W62-W89 CarbonylContact C-O 3.42Å; W62-W89 VanDerWaalsContact CA-O 3.24Å; W62-W89 WeakPolarHBondContact CA-O 3.27Å; W62-T90 HydrophobicContact CD2-CG2 3.92Å; W62-T90 HydrophobicContact CE3-CG2 3.93Å; W62-T90 VanDerWaalsContact CE3-N 3.26Å; W62-T90 HydrophobicContact CH2-CG2 3.65Å; W62-T90 HydrophobicContact CZ2-CG2 3.62Å; W62-T90 HydrophobicContact CZ3-CG2 3.8Å; W62-K91 WeakPolarHBondContact O-CE 3.33Å; W62-F239 HydrophobicContact CH2-CB 4.21Å; W62-F257 HydrophobicContact CH2-CB 4.16Å; W62-F257 AromaticContact CH2-CD1 3.62Å; W62-F257 HydrophobicContact CH2-CD1 3.62Å; W62-F257 AromaticContact CH2-CD2 3.79Å; W62-F257 HydrophobicContact CH2-CD2 3.79Å; W62-F257 AromaticContact CH2-CE1 3.93Å; W62-F257 HydrophobicContact CH2-CE1 3.93Å; W62-F257 HydrophobicContact CH2-CE2 4.06Å; W62-F257 AromaticContact CH2-CG 3.57Å; W62-F257 HydrophobicContact CH2-CG 3.57Å; W62-F257 HydrophobicContact CH2-CZ 4.15Å; W62-F257 HydrophobicContact CZ2-CB 4.14Å; W62-F257 AromaticContact CZ2-CD1 3.71Å; W62-F257 HydrophobicContact CZ2-CD1 3.71Å; W62-F257 HydrophobicContact CZ2-CE1 4.28Å; W62-F257 AromaticContact CZ2-CG 3.87Å; W62-F257 HydrophobicContact CZ2-CG 3.87Å
63	I	96.9	Very high	91.4	Very high	50 Å²	50	55.6 Å²	55.6	26%	0.256	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.4	169.8	49.6	173	0	0	0	108.5	V88 W89 K91 Q126 L128	I63-V88 CarbonylContact O-C 3.13Å; I63-V88 VanDerWaalsContact O-CA 3.26Å; I63-V88 WeakPolarHBondContact O-CA 3.49Å; I63-W89 HydrophobicContact CG1-CB 4.1Å; I63-W89 WeakPolarHBondContact CG1-O 3.41Å; I63-W89 PolarHBondContact N-O 2.92Å; I63-W89 PolarHBondContact O-N 3.45Å; I63-K91 HydrophobicContact CG2-CD 4.3Å; I63-K91 HydrophobicContact CG2-CG 3.78Å; I63-Q126 VanDerWaalsContact CD1-NE2 3.3Å; I63-L128 HydrophobicContact CD1-CD1 4.37Å; I63-L128 HydrophobicContact CD1-CD2 3.56Å; I63-L128 HydrophobicContact CG1-CD2 4.18Å
64	H	96.4	Very high	91.8	Very high	76 Å²	76	56.2 Å²	56.2	35%	0.352	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.7	172.1	65.9	-87.8	0	0	0	109.5	G57 I59 A68 P70 S87 V88	G57-H64 PolarHBondContact O-CE1 3.5Å; I59-H64 HydrophobicContact CD1-CB 4.47Å; H64-A68 HydrophobicContact CB-CB 4.09Å; H64-P70 HydrophobicContact CB-CG 4.38Å; H64-S87 CarbonylContact C-O 3.43Å; H64-S87 VanDerWaalsContact CA-O 3.27Å; H64-S87 WeakPolarHBondContact CA-O 3.38Å; H64-V88 HydrophobicContact CB-CG2 3.96Å
65	S	96.7	Very high	92.5	Very high	37 Å²	37	51.2 Å²	51.2	26%	0.259	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.6	-175.6	-178	0	0	0	0	110.8	A68 G86 S87 L128	S65-A68 WeakPolarHBondContact O-CB 3.41Å; S65-A68 PolarHBondContact O-N 3.12Å; S65-G86 WeakPolarHBondContact O-CA 3.36Å; S65-S87 PolarHBondContact N-O 2.72Å; S65-S87 PolarHBondContact O-N 3.1Å; S65-L128 WeakPolarHBondContact CB-O 3.19Å; S65-L128 PolarHBondContact OG-O 3.33Å
66	G	96.4	Very high	93.3	Very high	57 Å²	57	48.3 Å²	48.3	59%	0.588	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	66.6	-129.5	179.1	0	0	0	0	0	112.5	A68 R85	G66-A68 VanDerWaalsContact C-N 3.33Å; G66-R85 CarbonylContact C-O 3.57Å; G66-R85 WeakPolarHBondContact CA-O 3.42Å
67	N	97.3	Very high	93.9	Very high	63 Å²	63	42.6 Å²	42.6	34%	0.337	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	13.2	-178	-54.9	115.9	0	0	0	113.5	I69 I77 Q84 R85	N67-I69 WeakPolarHBondContact O-CG1 3.33Å; N67-I69 PolarHBondContact O-N 3.49Å; N67-I77 CarbonylContact C-O 3.53Å; N67-Q84 HydrophobicContact CB-CB 4.35Å; N67-Q84 PolarHBondContact ND2-OE1 2.69Å; N67-Q84 VanDerWaalsContact ND2-OE1 3.13Å; N67-Q84 WeakPolarHBondContact OD1-CA 2.95Å; N67-Q84 PolarHBondContact OD1-OE1 2.66Å; N67-R85 WeakPolarHBondContact CB-O 3.26Å; N67-R85 PolarHBondContact N-O 2.9Å; N67-R85 PolarHBondContact OD1-N 2.82Å; N67-R85 PolarHBondContact OD1-O 2.88Å; N67-R85 VanDerWaalsContact OD1-O 3.06Å
68	A	97.8	Very high	94.7	Very high	7 Å²	7	41 Å²	41	6%	0.058	24%	0.239	C	C	.	.			trans	-69.9	128.2	177.2	0	0	0	0	0	111	H64 S65 G66 R76 I77 V88	H64-A68 HydrophobicContact CB-CB 4.09Å; S65-A68 WeakPolarHBondContact O-CB 3.41Å; S65-A68 PolarHBondContact O-N 3.12Å; G66-A68 VanDerWaalsContact C-N 3.33Å; A68-R76 CarbonylContact C-O 3.58Å; A68-R76 WeakPolarHBondContact CA-O 3.17Å; A68-I77 WeakPolarHBondContact CA-O 3.14Å; A68-I77 PolarHBondContact N-O 3.39Å; A68-V88 HydrophobicContact CB-CG2 4.24Å
69	I	95.9	Very high	95	Very high	99 Å²	99	41.1 Å²	41.1	51%	0.508	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	101.3	-176.7	-53.5	170.8	0	0	0	108.6	N67 R76	N67-I69 WeakPolarHBondContact O-CG1 3.33Å; N67-I69 PolarHBondContact O-N 3.49Å; I69-R76 HydrophobicContact CB-CB 4.45Å; I69-R76 PolarHBondContact N-O 2.9Å; I69-R76 PolarHBondContact O-N 3.33Å
70	P	94.4	Very high	94.9	Very high	23 Å²	23	43.7 Å²	43.7	15%	0.149	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.1	172.1	-17.2	31.9	0	0	0	111.6	I59 H64 V75	I59-P70 HydrophobicContact CD1-CB 4.06Å; I59-P70 HydrophobicContact CD1-CG 3.87Å; I59-P70 HydrophobicContact CG1-CB 3.85Å; I59-P70 HydrophobicContact CG1-CG 3.89Å; H64-P70 HydrophobicContact CB-CG 4.38Å; P70-V75 HydrophobicContact CB-CG2 4.48Å; P70-V75 HydrophobicContact CG-CG1 4.35Å
71	S	88.6	Confident	95.1	Very high	49 Å²	49	46.5 Å²	46.5	34%	0.343	27%	0.266	S	S	.	.			trans	-129.2	-177.9	169.8	79.9	0	0	0	0	110.6	S53 D73 Q74	S53-S71 WeakPolarHBondContact CB-O 3.43Å; S53-S71 PolarHBondContact N-O 3.2Å; S53-S71 PolarHBondContact OG-O 2.9Å; S71-D73 VanDerWaalsContact C-N 3.27Å; S71-D73 PolarHBondContact O-N 2.92Å; S71-Q74 WeakPolarHBondContact CA-O 3.46Å; S71-Q74 PolarHBondContact N-O 3.4Å; S71-Q74 PolarHBondContact OG-N 3.44Å; S71-Q74 PolarHBondContact OG-O 2.97Å
72	A	85.2	Confident	95.1	Very high	41 Å²	41	49.8 Å²	49.8	34%	0.339	28%	0.281	S	S	.	.	S	Bend	trans	-63.4	-31.8	-179.6	0	0	0	0	0	113.1	P50 H51 L52 S53	P50-A72 CarbonylContact C-O 3.31Å; H51-A72 PolarHBondContact N-O 3.31Å; L52-A72 WeakPolarHBondContact CB-O 3.46Å; L52-A72 PolarHBondContact N-O 3.42Å; S53-A72 PolarHBondContact OG-N 2.93Å
73	D	87.9	Confident	95	Very high	98 Å²	98	54.2 Å²	54.2	52%	0.524	31%	0.312	S	S	.	.	S	Bend	trans	-114.3	-19.5	-168.7	-57.9	-27.9	0	0	0	113.3	S71	S71-D73 VanDerWaalsContact C-N 3.27Å; S71-D73 PolarHBondContact O-N 2.92Å
74	Q	93.8	Very high	95	Very high	45 Å²	45	53.5 Å²	53.5	21%	0.21	31%	0.308	C	S	.	.			trans	-157.3	168.3	-176.5	61.4	-178.5	34.6	0	0	111.6	S71 D253 V254 L255	S71-Q74 WeakPolarHBondContact CA-O 3.46Å; S71-Q74 PolarHBondContact N-O 3.4Å; S71-Q74 PolarHBondContact OG-N 3.44Å; S71-Q74 PolarHBondContact OG-O 2.97Å; Q74-D253 PolarHBondContact NE2-OD1 2.83Å; Q74-D253 PolarHBondContact NE2-OD2 3.42Å; Q74-V254 CarbonylContact C-O 3.59Å; Q74-V254 WeakPolarHBondContact CA-O 3.36Å; Q74-L255 HydrophobicContact CB-CG 4.31Å
75	V	97.3	Very high	95.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.7	165.8	-169.5	0	0	0	0	108.4	F47 L52 I59 P70 I77 V88 V254	F47-V75 HydrophobicContact CE2-CG2 4.14Å; F47-V75 HydrophobicContact CZ-CG2 4.45Å; L52-V75 HydrophobicContact CD1-CG2 3.91Å; L52-V75 HydrophobicContact CD2-CG2 3.56Å; L52-V75 HydrophobicContact CG-CG2 4.42Å; I59-V75 HydrophobicContact CD1-CG1 4.31Å; I59-V75 HydrophobicContact CD1-CG2 3.57Å; P70-V75 HydrophobicContact CB-CG2 4.48Å; P70-V75 HydrophobicContact CG-CG1 4.35Å; V75-I77 HydrophobicContact CB-CD1 4.27Å; V75-I77 HydrophobicContact CG1-CD1 3.92Å; V75-I77 PolarHBondContact O-N 3Å; V75-V88 HydrophobicContact CG1-CG2 3.8Å; V75-V254 PolarHBondContact N-O 3.34Å; V75-V254 PolarHBondContact O-N 2.84Å
76	R	97.9	Very high	95.2	Very high	79 Å²	79	53 Å²	53	30%	0.298	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	105.1	169.1	177.6	159.3	-68.7	-178.5	1.4	108.4	A68 I69 D251 D253	A68-R76 CarbonylContact C-O 3.58Å; A68-R76 WeakPolarHBondContact CA-O 3.17Å; I69-R76 HydrophobicContact CB-CB 4.45Å; I69-R76 PolarHBondContact N-O 2.9Å; I69-R76 PolarHBondContact O-N 3.33Å; R76-D251 IonicContact CZ-OD1 3.52Å; R76-D251 IonicContact NE-OD1 3.83Å; R76-D251 IonicContact NH1-OD1 2.91Å; R76-D251 PolarHBondContact NH1-OD1 3.22Å; R76-D253 VanDerWaalsContact CA-OD1 3.3Å; R76-D253 WeakPolarHBondContact CA-OD1 3.35Å; R76-D253 WeakPolarHBondContact CB-OD1 3.26Å; R76-D253 VanDerWaalsContact CG-OD1 3.29Å; R76-D253 WeakPolarHBondContact CG-OD1 3.39Å; R76-D253 IonicContact CZ-OD1 3.33Å; R76-D253 IonicContact CZ-OD2 2.74Å; R76-D253 IonicContact NE-OD1 3.71Å; R76-D253 PolarHBondContact NE-OD1 3.4Å; R76-D253 IonicContact NE-OD2 3.86Å; R76-D253 IonicContact NH2-OD1 2.81Å; R76-D253 PolarHBondContact NH2-OD1 3.29Å; R76-D253 IonicContact NH2-OD2 3.49Å; R76-D253 PolarHBondContact NH2-OD2 2.74Å
77	I	98.4	Very high	95.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-44.1	-177.4	-51.9	-64.7	0	0	0	110.4	N67 A68 V75 G86 V88 I241 A243 H252 V254	N67-I77 CarbonylContact C-O 3.53Å; A68-I77 WeakPolarHBondContact CA-O 3.14Å; A68-I77 PolarHBondContact N-O 3.39Å; V75-I77 HydrophobicContact CB-CD1 4.27Å; V75-I77 HydrophobicContact CG1-CD1 3.92Å; V75-I77 PolarHBondContact O-N 3Å; I77-G86 VanDerWaalsContact CG2-C 3.4Å; I77-G86 WeakPolarHBondContact CG2-O 3.42Å; I77-G86 WeakPolarHBondContact O-CA 3.32Å; I77-V88 HydrophobicContact CD1-CB 4.29Å; I77-V88 HydrophobicContact CD1-CG2 3.43Å; I77-V88 VanDerWaalsContact CD1-CG2 3.43Å; I77-I241 HydrophobicContact CD1-CG2 4.07Å; I77-A243 HydrophobicContact CB-CB 3.9Å; I77-A243 HydrophobicContact CG2-CB 3.61Å; I77-A243 VanDerWaalsContact CG2-N 3.27Å; I77-H252 HydrophobicContact CB-CB 4.48Å; I77-H252 PolarHBondContact N-O 2.74Å; I77-V254 HydrophobicContact CD1-CG2 4.01Å; I77-V254 HydrophobicContact CG1-CG2 3.58Å
78	T	98.2	Very high	95.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.8	167.3	63.4	0	0	0	0	110.4	Q84 A243 D251 H252	T78-Q84 HydrophobicContact CG2-CB 3.96Å; T78-A243 HydrophobicContact CG2-CB 4.08Å; T78-A243 WeakPolarHBondContact CG2-O 3.42Å; T78-D251 WeakPolarHBondContact O-CA 3.35Å; T78-H252 PolarHBondContact O-N 2.02Å; T78-H252 PolarHBondContact OG1-ND1 3.45Å
79	P	96.3	Very high	95.4	Very high	19 Å²	19	47 Å²	47	12%	0.123	25%	0.251	C	S	.	.			trans	-77.1	164.9	167.6	33.3	-33.8	0	0	0	111.4	L81 Q84 D250 D251	P79-L81 HydrophobicContact CB-CD1 4.44Å; P79-L81 HydrophobicContact CB-CG 4.23Å; P79-L81 HydrophobicContact CG-CB 4.25Å; P79-L81 HydrophobicContact CG-CD1 3.9Å; P79-L81 HydrophobicContact CG-CG 4.01Å; P79-L81 PolarHBondContact O-N 2.9Å; P79-Q84 HydrophobicContact CG-CG 4.13Å; P79-D250 CarbonylContact C-O 3.59Å; P79-D251 WeakPolarHBondContact CA-OD1 3.27Å
80	S	94.3	Very high	95.5	Very high	55 Å²	55	42.3 Å²	42.3	39%	0.385	23%	0.227	S	C	.	.	S	Bend	trans	-68.6	43.8	170.6	49.7	0	0	0	0	113.5	D251	S80-D251 WeakPolarHBondContact CB-OD2 3.15Å; S80-D251 PolarHBondContact N-OD1 3.5Å; S80-D251 VanDerWaalsContact OG-CG 3.31Å; S80-D251 PolarHBondContact OG-OD1 3Å; S80-D251 PolarHBondContact OG-OD2 2.89Å
81	L	94.6	Very high	95.6	Very high	102 Å²	102	46.4 Å²	46.4	53%	0.534	24%	0.242	S	C	.	.	S	Bend	trans	-106.7	155.2	169.4	-59.4	177.3	0	0	0	109	P79 Q84 T245 A249	P79-L81 HydrophobicContact CB-CD1 4.44Å; P79-L81 HydrophobicContact CB-CG 4.23Å; P79-L81 HydrophobicContact CG-CB 4.25Å; P79-L81 HydrophobicContact CG-CD1 3.9Å; P79-L81 HydrophobicContact CG-CG 4.01Å; P79-L81 PolarHBondContact O-N 2.9Å; L81-Q84 HydrophobicContact CB-CG 3.74Å; L81-Q84 VanDerWaalsContact O-CG 3.31Å; L81-Q84 WeakPolarHBondContact O-CG 3.28Å; L81-T245 WeakPolarHBondContact O-CB 3.09Å; L81-T245 PolarHBondContact O-OG1 2.79Å; L81-A249 WeakPolarHBondContact O-CB 3.3Å
82	K	94.4	Very high	96	Very high	142 Å²	142	48.4 Å²	48.4	62%	0.617	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	150.4	179.9	-62.7	-173.6	-179.6	-171.4	0	111.7	Q84 G246 G247	K82-Q84 VanDerWaalsContact C-N 3.29Å; K82-Q84 PolarHBondContact O-N 2.93Å; K82-Q84 PolarHBondContact O-NE2 2.91Å; K82-G246 WeakPolarHBondContact CA-O 3.2Å; K82-G247 WeakPolarHBondContact CE-O 3.32Å
83	S	95.6	Very high	96.6	Very high	96 Å²	96	50.4 Å²	50.4	67%	0.671	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	41.2	170.1	-52.5	0	0	0	0	113.7	T245 G246	S83-T245 WeakPolarHBondContact CA-O 3.45Å; S83-T245 PolarHBondContact N-O 2.8Å; S83-T245 VanDerWaalsContact N-O 3.15Å; S83-T245 PolarHBondContact N-OG1 3.49Å; S83-G246 PolarHBondContact N-O 2.97Å; S83-G246 VanDerWaalsContact N-O 3.13Å
84	Q	97.9	Very high	96.9	Very high	35 Å²	35	45.8 Å²	45.8	16%	0.164	23%	0.225	C	C	.	.			trans	-96.5	149.6	177	-56.2	-60.5	-67.6	0	0	110.3	N67 T78 P79 L81 K82 A244 T245	N67-Q84 HydrophobicContact CB-CB 4.35Å; N67-Q84 PolarHBondContact ND2-OE1 2.69Å; N67-Q84 VanDerWaalsContact ND2-OE1 3.13Å; N67-Q84 WeakPolarHBondContact OD1-CA 2.95Å; N67-Q84 PolarHBondContact OD1-OE1 2.66Å; T78-Q84 HydrophobicContact CG2-CB 3.96Å; P79-Q84 HydrophobicContact CG-CG 4.13Å; L81-Q84 HydrophobicContact CB-CG 3.74Å; L81-Q84 VanDerWaalsContact O-CG 3.31Å; L81-Q84 WeakPolarHBondContact O-CG 3.28Å; K82-Q84 VanDerWaalsContact C-N 3.29Å; K82-Q84 PolarHBondContact O-N 2.93Å; K82-Q84 PolarHBondContact O-NE2 2.91Å; Q84-A244 CarbonylContact O-C 3.58Å; Q84-A244 VanDerWaalsContact O-CA 3.22Å; Q84-A244 WeakPolarHBondContact O-CA 3.49Å; Q84-T245 WeakPolarHBondContact CB-OG1 3.41Å; Q84-T245 PolarHBondContact N-O 3.33Å; Q84-T245 PolarHBondContact N-OG1 2.81Å; Q84-T245 PolarHBondContact O-N 3.1Å
85	R	98.3	Very high	97	Very high	100 Å²	100	48.8 Å²	48.8	38%	0.377	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.5	172.8	-66.4	178.7	178.7	176	-0.2	108.7	G66 N67 G130 A244	G66-R85 CarbonylContact C-O 3.57Å; G66-R85 WeakPolarHBondContact CA-O 3.42Å; N67-R85 WeakPolarHBondContact CB-O 3.26Å; N67-R85 PolarHBondContact N-O 2.9Å; N67-R85 PolarHBondContact OD1-N 2.82Å; N67-R85 PolarHBondContact OD1-O 2.88Å; N67-R85 VanDerWaalsContact OD1-O 3.06Å; R85-G130 VanDerWaalsContact CD-O 3.31Å; R85-G130 WeakPolarHBondContact CD-O 3.27Å; R85-G130 PolarHBondContact NE-O 2.89Å; R85-G130 PolarHBondContact NH1-O 2.72Å; R85-A244 HydrophobicContact CG-CB 4.19Å
86	G	98.3	Very high	96.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.5	174.7	0	0	0	0	0	110.8	S65 I77 S242 A243	S65-G86 WeakPolarHBondContact O-CA 3.36Å; I77-G86 VanDerWaalsContact CG2-C 3.4Å; I77-G86 WeakPolarHBondContact CG2-O 3.42Å; I77-G86 WeakPolarHBondContact O-CA 3.32Å; G86-S242 VanDerWaalsContact O-CA 3.27Å; G86-S242 WeakPolarHBondContact O-CA 3.17Å; G86-S242 WeakPolarHBondContact O-CB 3.16Å; G86-A243 PolarHBondContact N-O 2.79Å; G86-A243 VanDerWaalsContact N-O 3.07Å; G86-A243 PolarHBondContact O-N 3.5Å
87	S	98.5	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.5	176.6	72.7	0	0	0	0	111.8	H64 S65 W89 L128 I241	H64-S87 CarbonylContact C-O 3.43Å; H64-S87 VanDerWaalsContact CA-O 3.27Å; H64-S87 WeakPolarHBondContact CA-O 3.38Å; S65-S87 PolarHBondContact N-O 2.72Å; S65-S87 PolarHBondContact O-N 3.1Å; S87-W89 PolarHBondContact OG-NE1 3.39Å; S87-L128 PolarHBondContact OG-O 3.12Å; S87-I241 CarbonylContact C-O 3.58Å; S87-I241 VanDerWaalsContact CA-O 3.3Å; S87-I241 WeakPolarHBondContact CA-O 3.48Å
88	V	98.4	Very high	96.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	122.6	176.7	-174.4	0	0	0	0	107.9	F47 I59 W62 I63 H64 A68 V75 I77 G240 I241	F47-V88 HydrophobicContact CE1-CG1 4.18Å; I59-V88 HydrophobicContact CD1-CG1 3.77Å; I59-V88 HydrophobicContact CD1-CG2 4.44Å; W62-V88 HydrophobicContact CB-CG1 3.99Å; W62-V88 HydrophobicContact CD2-CG1 4.32Å; W62-V88 HydrophobicContact CE3-CG1 3.77Å; W62-V88 HydrophobicContact CG-CG1 4.45Å; I63-V88 CarbonylContact O-C 3.13Å; I63-V88 VanDerWaalsContact O-CA 3.26Å; I63-V88 WeakPolarHBondContact O-CA 3.49Å; H64-V88 HydrophobicContact CB-CG2 3.96Å; A68-V88 HydrophobicContact CB-CG2 4.24Å; V75-V88 HydrophobicContact CG1-CG2 3.8Å; I77-V88 HydrophobicContact CD1-CB 4.29Å; I77-V88 HydrophobicContact CD1-CG2 3.43Å; I77-V88 VanDerWaalsContact CD1-CG2 3.43Å; V88-G240 CarbonylContact O-C 3.51Å; V88-G240 VanDerWaalsContact O-CA 3.27Å; V88-G240 WeakPolarHBondContact O-CA 3.02Å; V88-I241 HydrophobicContact CB-CG2 3.98Å; V88-I241 PolarHBondContact N-O 2.9Å; V88-I241 PolarHBondContact O-N 2.88Å
89	W	98.6	Very high	96.7	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.4	-172.8	-68.8	85.2	0	0	0	111.8	W62 I63 S87 W121 T123 Q126 G127 L128 A135 F238 F239 G240	W62-W89 CarbonylContact C-O 3.42Å; W62-W89 VanDerWaalsContact CA-O 3.24Å; W62-W89 WeakPolarHBondContact CA-O 3.27Å; I63-W89 HydrophobicContact CG1-CB 4.1Å; I63-W89 WeakPolarHBondContact CG1-O 3.41Å; I63-W89 PolarHBondContact N-O 2.92Å; I63-W89 PolarHBondContact O-N 3.45Å; S87-W89 PolarHBondContact OG-NE1 3.39Å; W89-W121 HydrophobicContact CH2-CB 3.37Å; W89-W121 AromaticContact CH2-CD1 3.83Å; W89-W121 HydrophobicContact CH2-CD2 4.16Å; W89-W121 AromaticContact CH2-CG 3.5Å; W89-W121 HydrophobicContact CH2-CG 3.5Å; W89-W121 VanDerWaalsContact CH2-CG 3.5Å; W89-W121 HydrophobicContact CZ2-CB 4.2Å; W89-W121 AromaticContact CZ2-CD1 3.78Å; W89-W121 AromaticContact CZ2-CG 3.92Å; W89-W121 HydrophobicContact CZ2-CG 3.92Å; W89-W121 HydrophobicContact CZ3-CB 3.73Å; W89-W121 HydrophobicContact CZ3-CG 4.33Å; W89-T123 WeakPolarHBondContact CH2-OG1 3.48Å; W89-T123 WeakPolarHBondContact CZ3-OG1 3.27Å; W89-Q126 HydrophobicContact CB-CB 4.48Å; W89-Q126 HydrophobicContact CB-CG 4.22Å; W89-Q126 HydrophobicContact CD2-CB 4.29Å; W89-Q126 HydrophobicContact CE3-CB 4.38Å; W89-Q126 HydrophobicContact CE3-CG 4.47Å; W89-Q126 HydrophobicContact CG-CB 4.34Å; W89-G127 VanDerWaalsContact CZ2-CA 3.49Å; W89-G127 WeakPolarHBondContact CZ2-O 3.44Å; W89-G127 PolarHBondContact NE1-O 2.84Å; W89-L128 HydrophobicContact CB-CD2 4.35Å; W89-L128 HydrophobicContact CG-CD2 4.17Å; W89-A135 HydrophobicContact CZ2-CB 4.17Å; W89-F238 HydrophobicContact CE3-CB 3.99Å; W89-F238 HydrophobicContact CZ3-CB 4.36Å; W89-F239 WeakPolarHBondContact CA-O 3.42Å; W89-G240 VanDerWaalsContact CE3-CA 3.42Å
90	T	98.4	Very high	96.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	140.2	170.7	47.7	0	0	0	0	110.6	Y45 W62 Q126 F238 F239	Y45-T90 HydrophobicContact CD1-CG2 3.96Å; W62-T90 HydrophobicContact CD2-CG2 3.92Å; W62-T90 HydrophobicContact CE3-CG2 3.93Å; W62-T90 VanDerWaalsContact CE3-N 3.26Å; W62-T90 HydrophobicContact CH2-CG2 3.65Å; W62-T90 HydrophobicContact CZ2-CG2 3.62Å; W62-T90 HydrophobicContact CZ3-CG2 3.8Å; T90-Q126 PolarHBondContact O-NE2 2.94Å; T90-F238 VanDerWaalsContact O-CD1 3.27Å; T90-F238 WeakPolarHBondContact O-CD1 3.41Å; T90-F238 WeakPolarHBondContact OG1-CA 3.29Å; T90-F239 HydrophobicContact CG2-CB 3.93Å; T90-F239 PolarHBondContact N-O 3.23Å; T90-F239 PolarHBondContact OG1-N 3.44Å; T90-F239 PolarHBondContact OG1-O 3.33Å
91	K	97.3	Very high	97	Very high	109 Å²	109	51.1 Å²	51.1	47%	0.474	25%	0.25	S	C	.	.	S	Bend	trans	-71.5	-33.2	178.1	-76.9	178.2	-174	179.4	0	113	F61 W62 I63	F61-K91 WeakPolarHBondContact O-CB 3.5Å; F61-K91 WeakPolarHBondContact O-CG 3.41Å; F61-K91 PolarHBondContact O-N 2.91Å; W62-K91 WeakPolarHBondContact O-CE 3.33Å; I63-K91 HydrophobicContact CG2-CD 4.3Å; I63-K91 HydrophobicContact CG2-CG 3.78Å
92	N	96.2	Very high	97.2	Very high	92 Å²	92	47 Å²	47	49%	0.492	23%	0.227	S	C	.	.	S	Bend	trans	-115.7	150	-175.4	-63.8	-36.1	0	0	0	110.3	Y45	Y45-N92 HydrophobicContact CE1-CB 4.22Å; Y45-N92 WeakPolarHBondContact CE1-O 3.23Å
93	K	97.4	Very high	97.4	Very high	83 Å²	83	40.2 Å²	40.2	36%	0.361	20%	0.198	S	C	.	.			trans	-69.8	139.5	172.9	-67.3	-177.8	173.5	177.7	0	111	Y45 S124 E236 G237 F238	Y45-K93 PolarHBondContact OH-O 2.93Å; K93-S124 WeakPolarHBondContact CE-O 3.47Å; K93-E236 HydrophobicContact CB-CB 4.44Å; K93-E236 HydrophobicContact CD-CB 4.32Å; K93-E236 HydrophobicContact CD-CG 4.18Å; K93-E236 WeakPolarHBondContact CD-OE1 3.2Å; K93-E236 IonicContact NZ-OE1 3.5Å; K93-E236 PolarHBondContact NZ-OE1 3.02Å; K93-G237 CarbonylContact C-O 3.53Å; K93-G237 WeakPolarHBondContact CA-O 3.42Å; K93-F238 HydrophobicContact CD-CE2 4.15Å; K93-F238 HydrophobicContact CD-CZ 4.26Å; K93-F238 HydrophobicContact CG-CD1 4.21Å; K93-F238 HydrophobicContact CG-CD2 4.02Å; K93-F238 HydrophobicContact CG-CE1 3.75Å; K93-F238 HydrophobicContact CG-CE2 3.52Å; K93-F238 HydrophobicContact CG-CG 4.35Å; K93-F238 HydrophobicContact CG-CZ 3.39Å
94	V	95.3	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-88.7	137.8	166.8	178.5	0	0	0	0	109.2	Y45 F96 F122 E236 G237 F239 L259	Y45-V94 HydrophobicContact CD1-CG2 3.28Å; Y45-V94 HydrophobicContact CD2-CG2 3.7Å; Y45-V94 HydrophobicContact CE1-CB 4.48Å; Y45-V94 HydrophobicContact CE1-CG2 3.38Å; Y45-V94 HydrophobicContact CE2-CG2 3.8Å; Y45-V94 HydrophobicContact CG-CG2 3.44Å; Y45-V94 VanDerWaalsContact CG-CG2 3.44Å; V94-F96 HydrophobicContact CG1-CB 4.02Å; V94-F96 HydrophobicContact CG1-CD1 4.04Å; V94-F96 HydrophobicContact CG1-CD2 3.13Å; V94-F96 HydrophobicContact CG1-CE1 4.27Å; V94-F96 HydrophobicContact CG1-CE2 3.42Å; V94-F96 VanDerWaalsContact CG1-CE2 3.42Å; V94-F96 HydrophobicContact CG1-CG 3.45Å; V94-F96 VanDerWaalsContact CG1-CG 3.45Å; V94-F96 HydrophobicContact CG1-CZ 3.98Å; V94-F122 HydrophobicContact CB-CE2 4.39Å; V94-E236 CarbonylContact O-C 3.52Å; V94-E236 WeakPolarHBondContact O-CA 3.44Å; V94-G237 PolarHBondContact N-O 2.93Å; V94-G237 PolarHBondContact O-N 2.76Å; V94-F239 HydrophobicContact CB-CD2 4.27Å; V94-F239 HydrophobicContact CB-CE2 4.04Å; V94-F239 HydrophobicContact CG1-CE2 4.07Å; V94-F239 HydrophobicContact CG2-CD2 3.68Å; V94-F239 HydrophobicContact CG2-CE2 3.84Å; V94-L259 HydrophobicContact CG1-CD2 4.33Å; V94-L259 HydrophobicContact CG2-CD2 4Å
95	N	96.3	Very high	97.6	Very high	108 Å²	108	34.1 Å²	34.1	58%	0.578	16%	0.159	S	C	*	.			trans	-128.3	75	173.2	-179	19.2	0	0	0	109.1	T235 E236	N95-T235 PolarHBondContact OD1-O 2.83Å; N95-T235 VanDerWaalsContact OD1-O 3.12Å; N95-E236 HydrophobicContact CB-CB 4.35Å
96	F	94.9	Very high	97.6	Very high	23 Å²	23	34 Å²	34	10%	0.101	16%	0.159	C	C	.	.			trans	-117.9	128.4	178.4	-59.5	-27.9	0	0	0	109.7	E42 Y45 V94 N98 W99 L259 R261	E42-F96 HydrophobicContact CB-CE2 4.22Å; E42-F96 HydrophobicContact CB-CZ 4.3Å; E42-F96 HydrophobicContact CG-CE2 3.66Å; E42-F96 HydrophobicContact CG-CZ 3.61Å; Y45-F96 HydrophobicContact CD2-CE2 4.18Å; Y45-F96 HydrophobicContact CD2-CZ 4.13Å; Y45-F96 HydrophobicContact CE2-CE2 4.28Å; Y45-F96 AromaticContact CE2-CZ 3.83Å; Y45-F96 HydrophobicContact CE2-CZ 3.83Å; V94-F96 HydrophobicContact CG1-CB 4.02Å; V94-F96 HydrophobicContact CG1-CD1 4.04Å; V94-F96 HydrophobicContact CG1-CD2 3.13Å; V94-F96 HydrophobicContact CG1-CE1 4.27Å; V94-F96 HydrophobicContact CG1-CE2 3.42Å; V94-F96 VanDerWaalsContact CG1-CE2 3.42Å; V94-F96 HydrophobicContact CG1-CG 3.45Å; V94-F96 VanDerWaalsContact CG1-CG 3.45Å; V94-F96 HydrophobicContact CG1-CZ 3.98Å; F96-N98 VanDerWaalsContact C-N 3.31Å; F96-N98 PolarHBondContact O-N 3.07Å; F96-W99 HydrophobicContact CB-CB 4.31Å; F96-W99 HydrophobicContact CD2-CB 4.3Å; F96-L259 HydrophobicContact CD2-CD2 4.15Å; F96-L259 HydrophobicContact CE2-CD2 3.69Å; F96-L259 HydrophobicContact CE2-CG 4.41Å; F96-R261 HydrophobicContact CD1-CG 4.18Å; F96-R261 HydrophobicContact CD2-CB 4.21Å; F96-R261 HydrophobicContact CD2-CG 4.5Å; F96-R261 HydrophobicContact CE2-CB 4.25Å; F96-R261 HydrophobicContact CG-CB 4.39Å; F96-R261 HydrophobicContact CG-CG 4.19Å; F96-R261 HydrophobicContact CZ-CB 4.44Å
97	E	94.4	Very high	97.6	Very high	149 Å²	149	34 Å²	34	70%	0.696	16%	0.159	S	C	*	.	S	Bend	trans	-64.3	-39.4	174.6	-64.3	-176.8	173.7	0	0	111.9
98	N	96.6	Very high	97.5	Very high	11 Å²	11	36 Å²	36	6%	0.059	17%	0.173	C	C	.	.	S	Bend	trans	-134	135.4	179.1	-55.4	-69.4	0	0	0	110.2	F96 Y202 Y203 R204 L262	F96-N98 VanDerWaalsContact C-N 3.31Å; F96-N98 PolarHBondContact O-N 3.07Å; N98-Y202 CarbonylContact C-O 3.54Å; N98-Y202 VanDerWaalsContact CA-O 3.27Å; N98-Y202 WeakPolarHBondContact CA-O 3.31Å; N98-Y203 HydrophobicContact CB-CD2 3.81Å; N98-Y203 HydrophobicContact CB-CE2 4.43Å; N98-Y203 WeakPolarHBondContact OD1-CA 3.46Å; N98-R204 PolarHBondContact OD1-N 2.97Å; N98-L262 HydrophobicContact CB-CB 3.78Å; N98-L262 PolarHBondContact O-N 2.99Å
99	W	98.1	Very high	97.2	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	161.2	-175.4	55.9	-101	0	0	0	112.4	F96 A101 F122 I142 I200 Y202 L207 I233 F239 L259 F260	F96-W99 HydrophobicContact CB-CB 4.31Å; F96-W99 HydrophobicContact CD2-CB 4.3Å; W99-A101 HydrophobicContact CE3-CB 4.34Å; W99-A101 HydrophobicContact CZ3-CB 4.13Å; W99-F122 HydrophobicContact CZ2-CB 4.25Å; W99-F122 HydrophobicContact CZ2-CG 4.29Å; W99-I142 HydrophobicContact CH2-CD1 3.95Å; W99-I142 HydrophobicContact CZ2-CD1 3.97Å; W99-I200 HydrophobicContact CH2-CG2 3.94Å; W99-I200 HydrophobicContact CZ3-CB 4.35Å; W99-I200 HydrophobicContact CZ3-CG2 3.89Å; W99-I200 WeakPolarHBondContact CZ3-O 3.49Å; W99-Y202 HydrophobicContact CZ2-CG 4.28Å; W99-Y202 PolarHBondContact N-O 3.05Å; W99-Y202 AromaticContact NE1-CD1 3.87Å; W99-Y202 PolarHBondContact O-N 3.19Å; W99-L207 HydrophobicContact CH2-CD1 3.99Å; W99-L207 HydrophobicContact CZ2-CD1 4.39Å; W99-I233 HydrophobicContact CZ2-CD1 4.25Å; W99-F239 HydrophobicContact CD2-CE1 4.23Å; W99-F239 AromaticContact CD2-CZ 3.66Å; W99-F239 HydrophobicContact CD2-CZ 3.66Å; W99-F239 AromaticContact CE2-CZ 3.86Å; W99-F239 AromaticContact CE3-CE1 3.98Å; W99-F239 HydrophobicContact CE3-CE1 3.98Å; W99-F239 AromaticContact CE3-CZ 3.79Å; W99-F239 HydrophobicContact CE3-CZ 3.79Å; W99-F239 HydrophobicContact CG-CZ 4.1Å; W99-F239 HydrophobicContact CH2-CE1 4.01Å; W99-F239 HydrophobicContact CH2-CZ 4.37Å; W99-F239 HydrophobicContact CZ2-CE1 4.22Å; W99-F239 HydrophobicContact CZ2-CZ 4.22Å; W99-F239 AromaticContact CZ3-CE1 3.88Å; W99-F239 HydrophobicContact CZ3-CE1 3.88Å; W99-F239 HydrophobicContact CZ3-CZ 4.16Å; W99-L259 HydrophobicContact CB-CD1 4.33Å; W99-L259 HydrophobicContact CE3-CD1 4.45Å; W99-F260 CarbonylContact C-O 3.35Å; W99-F260 VanDerWaalsContact CA-O 3.27Å; W99-F260 WeakPolarHBondContact CA-O 3.5Å
100	E	98.6	Very high	96.6	Very high	17 Å²	17	48 Å²	48	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	126.2	173.4	-179.1	174.6	77.6	0	0	109.7	R39 K199 I200 T201 F260 L262	R39-E100 IonicContact CZ-OE1 3.79Å; R39-E100 IonicContact NE-OE1 3.19Å; R39-E100 PolarHBondContact NE-OE1 3.19Å; R39-E100 IonicContact NH2-OE1 2.88Å; R39-E100 PolarHBondContact NH2-OE1 2.79Å; E100-K199 HydrophobicContact CG-CD 4.26Å; E100-K199 HydrophobicContact CG-CG 3.85Å; E100-I200 CarbonylContact C-O 3.42Å; E100-I200 WeakPolarHBondContact CA-O 3.39Å; E100-T201 HydrophobicContact CB-CG2 4.34Å; E100-T201 PolarHBondContact OE2-OG1 2.79Å; E100-F260 HydrophobicContact CB-CB 4.38Å; E100-F260 PolarHBondContact N-O 3.13Å; E100-F260 PolarHBondContact O-N 2.67Å; E100-L262 HydrophobicContact CB-CD1 4.16Å; E100-L262 HydrophobicContact CB-CD2 4.2Å; E100-L262 HydrophobicContact CB-CG 4.28Å
101	A	98.7	Very high	96	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.2	174.8	0	0	0	0	0	109.6	W99 K199 I200 F239 F257 L258 L259	W99-A101 HydrophobicContact CE3-CB 4.34Å; W99-A101 HydrophobicContact CZ3-CB 4.13Å; A101-K199 WeakPolarHBondContact O-CA 3.5Å; A101-I200 PolarHBondContact N-O 2.88Å; A101-I200 PolarHBondContact O-N 2.8Å; A101-F239 HydrophobicContact CB-CE1 4.43Å; A101-F257 HydrophobicContact CB-CE1 4.1Å; A101-F257 HydrophobicContact CB-CZ 4.03Å; A101-L258 CarbonylContact C-O 3.55Å; A101-L258 WeakPolarHBondContact CA-O 3.41Å; A101-L259 HydrophobicContact CB-CD1 4.16Å
102	E	98.7	Very high	95.3	Very high	14 Å²	14	57 Å²	57	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.5	171.1	-66.3	-177.5	-177.2	0	0	109.6	R39 A198 K199 L258 F260	R39-E102 IonicContact CZ-OE1 2.69Å; R39-E102 IonicContact NH1-OE1 3.74Å; R39-E102 IonicContact NH2-OE1 4Å; R39-E102 PolarHBondContact NH2-OE1 2.93Å; E102-A198 CarbonylContact C-O 3.58Å; E102-A198 WeakPolarHBondContact CA-O 3.13Å; E102-K199 HydrophobicContact CG-CB 4.44Å; E102-K199 HydrophobicContact CG-CD 4.17Å; E102-K199 HydrophobicContact CG-CG 4.12Å; E102-L258 HydrophobicContact CB-CB 4.3Å; E102-L258 PolarHBondContact N-O 3.48Å; E102-L258 PolarHBondContact O-N 3.25Å; E102-F260 HydrophobicContact CB-CE2 4.5Å; E102-F260 HydrophobicContact CG-CE2 4.2Å
103	V	98.8	Very high	94.9	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.1	-178.1	-171.6	0	0	0	0	109	F105 V120 R197 A198 I241 V254 S256 F257	V103-F105 HydrophobicContact CG1-CD1 4.14Å; V103-V120 HydrophobicContact CG1-CG2 4.35Å; V103-V120 HydrophobicContact CG2-CG1 4.21Å; V103-V120 HydrophobicContact CG2-CG2 4.11Å; V103-R197 CarbonylContact O-C 3.53Å; V103-R197 VanDerWaalsContact O-CA 3.32Å; V103-R197 WeakPolarHBondContact O-CA 3.48Å; V103-A198 PolarHBondContact N-O 3.23Å; V103-A198 PolarHBondContact O-N 3.2Å; V103-I241 HydrophobicContact CG1-CD1 3.73Å; V103-V254 HydrophobicContact CG1-CG1 4.2Å; V103-S256 WeakPolarHBondContact CA-O 3.48Å; V103-F257 HydrophobicContact CG1-CD2 4.44Å; V103-F257 HydrophobicContact CG2-CD2 3.74Å; V103-F257 HydrophobicContact CG2-CE2 3.75Å; V103-F257 HydrophobicContact CG2-CG 4.36Å; V103-F257 HydrophobicContact CG2-CZ 4.34Å
104	T	98.7	Very high	94.6	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.1	176.2	-55.1	0	0	0	0	109.5	P195 I196 R197 L255 S256	T104-P195 HydrophobicContact CG2-CB 3.5Å; T104-P195 HydrophobicContact CG2-CG 4.4Å; T104-I196 CarbonylContact C-O 3.58Å; T104-I196 VanDerWaalsContact CA-O 3.31Å; T104-I196 WeakPolarHBondContact CA-O 3.5Å; T104-R197 HydrophobicContact CG2-CG 4.21Å; T104-R197 PolarHBondContact OG1-NH1 2.88Å; T104-L255 HydrophobicContact CG2-CB 4.15Å; T104-L255 HydrophobicContact CG2-CD2 4.45Å; T104-L255 PolarHBondContact O-N 2.78Å; T104-S256 VanDerWaalsContact CB-OG 3.32Å; T104-S256 WeakPolarHBondContact CB-OG 3.38Å; T104-S256 PolarHBondContact N-O 2.9Å; T104-S256 PolarHBondContact O-N 3.41Å; T104-S256 PolarHBondContact OG1-OG 3.44Å
105	F	98.6	Very high	94.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	167.6	-174.1	64.6	-92.7	0	0	0	113	V103 V107 L118 F146 F189 I196 A198 D253 V254	V103-F105 HydrophobicContact CG1-CD1 4.14Å; F105-V107 HydrophobicContact CD2-CG2 4Å; F105-V107 HydrophobicContact CE2-CG2 4.08Å; F105-L118 HydrophobicContact CB-CD2 4.38Å; F105-L118 HydrophobicContact CD2-CD2 3.58Å; F105-L118 HydrophobicContact CE2-CD2 3.92Å; F105-L118 HydrophobicContact CG-CD2 3.98Å; F105-F146 HydrophobicContact CE1-CD1 4.27Å; F105-F146 AromaticContact CE1-CE1 3.87Å; F105-F146 HydrophobicContact CE1-CE1 3.87Å; F105-F146 HydrophobicContact CE1-CZ 4.06Å; F105-F146 HydrophobicContact CE2-CD1 4.33Å; F105-F146 AromaticContact CZ-CD1 3.52Å; F105-F146 HydrophobicContact CZ-CD1 3.52Å; F105-F146 AromaticContact CZ-CE1 3.51Å; F105-F146 HydrophobicContact CZ-CE1 3.51Å; F105-F146 HydrophobicContact CZ-CG 4.15Å; F105-F146 HydrophobicContact CZ-CZ 4.13Å; F105-F189 HydrophobicContact CE2-CB 4.5Å; F105-F189 HydrophobicContact CE2-CD2 4.46Å; F105-I196 HydrophobicContact CD1-CG2 4.43Å; F105-I196 HydrophobicContact CD2-CB 4.11Å; F105-I196 HydrophobicContact CD2-CG2 4.48Å; F105-I196 HydrophobicContact CE1-CB 4.18Å; F105-I196 HydrophobicContact CE1-CG2 3.66Å; F105-I196 HydrophobicContact CE2-CB 3.76Å; F105-I196 HydrophobicContact CE2-CG1 4.21Å; F105-I196 HydrophobicContact CE2-CG2 3.74Å; F105-I196 HydrophobicContact CG-CB 4.49Å; F105-I196 HydrophobicContact CZ-CB 3.8Å; F105-I196 HydrophobicContact CZ-CG2 3.27Å; F105-I196 PolarHBondContact N-O 2.73Å; F105-I196 PolarHBondContact O-N 2.79Å; F105-A198 HydrophobicContact CE1-CB 4.11Å; F105-D253 CarbonylContact C-O 3.47Å; F105-D253 WeakPolarHBondContact CA-O 3.18Å; F105-D253 VanDerWaalsContact CB-O 3.24Å; F105-D253 WeakPolarHBondContact CB-O 3.22Å; F105-V254 HydrophobicContact CB-CG2 4.4Å
106	R	98.4	Very high	94.5	Very high	96 Å²	96	51.8 Å²	51.8	36%	0.362	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136	170.8	-72.8	-177.2	165.9	-170.8	-5	109	P193 P195 D253 L255	R106-P193 PolarHBondContact NH2-O 2.88Å; R106-P195 HydrophobicContact CG-CB 4.23Å; R106-P195 HydrophobicContact CG-CG 4.48Å; R106-D253 HydrophobicContact CB-CB 4.4Å; R106-D253 PolarHBondContact N-O 3.02Å; R106-D253 PolarHBondContact O-N 3.29Å; R106-L255 HydrophobicContact CB-CD1 4.5Å; R106-L255 HydrophobicContact CG-CD1 4.11Å
107	V	98.3	Very high	94.6	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.1	167.1	-175.7	0	0	0	0	107	F105 L118 F189 R190 N191 D250 D251	F105-V107 HydrophobicContact CD2-CG2 4Å; F105-V107 HydrophobicContact CE2-CG2 4.08Å; V107-L118 HydrophobicContact CG2-CD2 3.82Å; V107-F189 HydrophobicContact CB-CD2 4.1Å; V107-F189 HydrophobicContact CB-CE2 4.32Å; V107-F189 HydrophobicContact CG1-CE2 4.39Å; V107-F189 HydrophobicContact CG2-CD2 3.81Å; V107-F189 HydrophobicContact CG2-CE2 3.97Å; V107-R190 HydrophobicContact CB-CG 4.46Å; V107-R190 HydrophobicContact CG1-CG 4.09Å; V107-N191 PolarHBondContact O-N 2.8Å; V107-D250 HydrophobicContact CG1-CB 3.88Å; V107-D251 WeakPolarHBondContact CA-O 3.22Å
108	S	96.8	Very high	94.7	Very high	43 Å²	43	43.6 Å²	43.6	30%	0.301	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.4	-171.1	-65.3	0	0	0	0	111.1	N191 D250 D251	S108-N191 WeakPolarHBondContact CA-OD1 3.37Å; S108-D250 CarbonylContact O-C 3.58Å; S108-D250 WeakPolarHBondContact O-CA 3.18Å; S108-D250 WeakPolarHBondContact O-CB 3.48Å; S108-D251 PolarHBondContact N-O 2.8Å; S108-D251 PolarHBondContact O-N 2.86Å
109	G	92.3	Very high	94.8	Very high	15 Å²	15	43.1 Å²	43.1	16%	0.155	20%	0.203	C	C	.	.			trans	-146.6	148.4	-169.8	0	0	0	0	0	112.8	G111 N191 D250	G109-G111 PolarHBondContact O-N 2.84Å; G109-N191 PolarHBondContact N-OD1 3.23Å; G109-N191 PolarHBondContact O-ND2 2.79Å; G109-N191 VanDerWaalsContact O-ND2 3.16Å; G109-N191 PolarHBondContact O-OD1 3.02Å; G109-D250 WeakPolarHBondContact CA-OD1 3.38Å
110	R	86.8	Confident	94.9	Very high	239 Å²	239	43.2 Å²	43.2	90%	0.902	20%	0.204	S	C	*	.	S	Bend	trans	-73.8	118	172.3	-67.3	-175.7	-179.2	173.9	1.5	109.4
111	G	84.7	Confident	94.9	Very high	53 Å²	53	42.6 Å²	42.6	55%	0.546	20%	0.201	S	C	.	.	S	Bend	trans	87.8	-172.1	174.7	0	0	0	0	0	114.4	G109	G109-G111 PolarHBondContact O-N 2.84Å
112	R	83.8	Confident	94.9	Very high	245 Å²	245	42.6 Å²	42.6	93%	0.925	20%	0.201	S	C	*	.	S	Bend	trans	-81.2	-22.2	-171.3	-67.2	-171.8	-179.6	-167.6	0.3	114.4	R190	R112-R190 PolarHBondContact O-NH1 3.25Å
113	M	87.2	Confident	94.9	Very high	145 Å²	145	42.1 Å²	42.1	71%	0.714	20%	0.199	S	C	*	.			trans	-110.6	148.6	177.6	-63.7	176	-175.9	0	0	109.5	R190 L248	M113-R190 VanDerWaalsContact C-CZ 3.5Å; M113-R190 VanDerWaalsContact C-NH2 3.33Å; M113-R190 PolarHBondContact O-NH2 3.3Å; M113-R190 VanDerWaalsContact O-NH2 3.13Å; M113-L248 HydrophobicContact CB-CD1 3.93Å
114	G	91.9	Very high	94.8	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	21%	0.207	C	C	.	.			trans	-153.3	168.9	178.1	0	0	0	0	0	109.6	R190 D250	G114-R190 VanDerWaalsContact N-CZ 3.32Å; G114-D250 WeakPolarHBondContact CA-OD1 3.31Å; G114-D250 WeakPolarHBondContact CA-OD2 3.49Å
115	A	94	Very high	94.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	24%	0.24	C	C	.	.			trans	-159.3	161.2	-178.3	0	0	0	0	0	111.3	S148 F149 L248 D250	A115-S148 WeakPolarHBondContact CA-OG 3.42Å; A115-F149 HydrophobicContact CB-CB 3.68Å; A115-F149 HydrophobicContact CB-CD2 3.87Å; A115-F149 HydrophobicContact CB-CG 3.8Å; A115-L248 HydrophobicContact CB-CB 3.7Å; A115-D250 PolarHBondContact O-N 3.41Å
116	D	93.8	Very high	94.7	Very high	24 Å²	24	53.2 Å²	53.2	13%	0.128	25%	0.253	C	S	.	.			cis	-94.8	-37.2	-8.7	-64.8	-4.7	0	0	0	109.8	S148 A244 G246	D116-S148 PolarHBondContact O-N 2.71Å; D116-S148 PolarHBondContact O-OG 2.96Å; D116-A244 PolarHBondContact N-O 2.84Å; D116-G246 WeakPolarHBondContact OD1-CA 3.43Å; D116-G246 PolarHBondContact OD1-N 2.87Å; D116-G246 PolarHBondContact OD2-N 2.83Å
117	G	96.8	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-164.6	176.5	0	0	0	0	0	111.5	F146 A243 A244 H252	G117-F146 VanDerWaalsContact CA-O 3.22Å; G117-F146 WeakPolarHBondContact CA-O 3.36Å; G117-A243 WeakPolarHBondContact O-CA 3.47Å; G117-A243 WeakPolarHBondContact O-CB 3.44Å; G117-A244 PolarHBondContact O-N 3.19Å; G117-H252 WeakPolarHBondContact CA-NE2 3.29Å; G117-H252 PolarHBondContact O-NE2 2.91Å
118	L	98.4	Very high	94.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	160.3	175.2	70.1	85.5	0	0	0	111.7	F105 V107 V120 F146 I241 S242 A243	F105-L118 HydrophobicContact CB-CD2 4.38Å; F105-L118 HydrophobicContact CD2-CD2 3.58Å; F105-L118 HydrophobicContact CE2-CD2 3.92Å; F105-L118 HydrophobicContact CG-CD2 3.98Å; V107-L118 HydrophobicContact CG2-CD2 3.82Å; L118-V120 HydrophobicContact CD1-CG2 4.44Å; L118-F146 HydrophobicContact CD1-CB 4.05Å; L118-F146 HydrophobicContact CD1-CD2 3.39Å; L118-F146 HydrophobicContact CD1-CE2 4.04Å; L118-F146 HydrophobicContact CD1-CG 3.87Å; L118-F146 HydrophobicContact CG-CB 3.99Å; L118-F146 HydrophobicContact CG-CD2 4.27Å; L118-F146 HydrophobicContact CG-CG 4.32Å; L118-F146 PolarHBondContact N-O 2.78Å; L118-F146 VanDerWaalsContact N-O 3.15Å; L118-F146 PolarHBondContact O-N 2.84Å; L118-I241 HydrophobicContact CD1-CD1 4.31Å; L118-S242 CarbonylContact C-O 3.56Å; L118-S242 VanDerWaalsContact CA-O 3.23Å; L118-S242 WeakPolarHBondContact CA-O 3.42Å; L118-S242 WeakPolarHBondContact CB-O 3.39Å; L118-A243 HydrophobicContact CB-CB 3.88Å
119	A	98.6	Very high	94.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.5	179.9	0	0	0	0	0	111.1	W121 Y133 V144 F145 I241 S242	A119-W121 HydrophobicContact CB-CD2 4.45Å; A119-W121 HydrophobicContact CB-CZ2 3.59Å; A119-W121 VanDerWaalsContact CB-NE1 3.34Å; A119-Y133 HydrophobicContact CB-CD2 4.07Å; A119-Y133 HydrophobicContact CB-CG 4.17Å; A119-V144 WeakPolarHBondContact CA-O 3.41Å; A119-F145 HydrophobicContact CB-CD1 3.48Å; A119-F145 VanDerWaalsContact CB-CD1 3.48Å; A119-F145 HydrophobicContact CB-CE1 3.83Å; A119-I241 CarbonylContact O-C 3.51Å; A119-I241 VanDerWaalsContact O-CA 3.28Å; A119-I241 WeakPolarHBondContact O-CA 3.31Å; A119-S242 PolarHBondContact N-O 2.77Å; A119-S242 PolarHBondContact O-N 2.81Å
120	V	98.8	Very high	94.4	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.1	169.7	-179.8	0	0	0	0	108.9	V103 L118 G143 V144 F146 I200 I241 F257	V103-V120 HydrophobicContact CG1-CG2 4.35Å; V103-V120 HydrophobicContact CG2-CG1 4.21Å; V103-V120 HydrophobicContact CG2-CG2 4.11Å; L118-V120 HydrophobicContact CD1-CG2 4.44Å; V120-G143 WeakPolarHBondContact O-CA 3.24Å; V120-V144 HydrophobicContact CB-CB 4.46Å; V120-V144 PolarHBondContact N-O 2.81Å; V120-V144 PolarHBondContact O-N 3.31Å; V120-F146 HydrophobicContact CG2-CE2 4.01Å; V120-I200 HydrophobicContact CB-CD1 3.9Å; V120-I200 HydrophobicContact CG1-CD1 3.71Å; V120-I200 HydrophobicContact CG2-CD1 4.3Å; V120-I241 HydrophobicContact CG2-CD1 4.1Å; V120-F257 HydrophobicContact CG1-CE2 4.03Å; V120-F257 HydrophobicContact CG1-CZ 4.49Å
121	W	98.8	Very high	94.8	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.7	-168.3	-58.6	97.7	0	0	0	112.4	W89 A119 T123 V132 A135 W139 I142 F145 F239 G240 S242	W89-W121 HydrophobicContact CH2-CB 3.37Å; W89-W121 AromaticContact CH2-CD1 3.83Å; W89-W121 HydrophobicContact CH2-CD2 4.16Å; W89-W121 AromaticContact CH2-CG 3.5Å; W89-W121 HydrophobicContact CH2-CG 3.5Å; W89-W121 VanDerWaalsContact CH2-CG 3.5Å; W89-W121 HydrophobicContact CZ2-CB 4.2Å; W89-W121 AromaticContact CZ2-CD1 3.78Å; W89-W121 AromaticContact CZ2-CG 3.92Å; W89-W121 HydrophobicContact CZ2-CG 3.92Å; W89-W121 HydrophobicContact CZ3-CB 3.73Å; W89-W121 HydrophobicContact CZ3-CG 4.33Å; A119-W121 HydrophobicContact CB-CD2 4.45Å; A119-W121 HydrophobicContact CB-CZ2 3.59Å; A119-W121 VanDerWaalsContact CB-NE1 3.34Å; W121-T123 HydrophobicContact CB-CG2 4.31Å; W121-T123 HydrophobicContact CE3-CG2 3.97Å; W121-V132 HydrophobicContact CH2-CB 4.37Å; W121-V132 HydrophobicContact CH2-CG1 3.73Å; W121-V132 HydrophobicContact CZ2-CG1 4.07Å; W121-A135 HydrophobicContact CZ2-CB 3.71Å; W121-W139 HydrophobicContact CE3-CG 4.44Å; W121-W139 HydrophobicContact CH2-CD2 4.31Å; W121-W139 HydrophobicContact CH2-CE3 4.23Å; W121-W139 HydrophobicContact CH2-CZ3 4.38Å; W121-W139 AromaticContact CZ3-CD2 3.61Å; W121-W139 HydrophobicContact CZ3-CD2 3.61Å; W121-W139 AromaticContact CZ3-CE2 3.69Å; W121-W139 AromaticContact CZ3-CE3 3.99Å; W121-W139 HydrophobicContact CZ3-CE3 3.99Å; W121-W139 AromaticContact CZ3-CG 3.92Å; W121-W139 HydrophobicContact CZ3-CG 3.92Å; W121-W139 HydrophobicContact CZ3-CH2 4.5Å; W121-W139 HydrophobicContact CZ3-CZ2 4.15Å; W121-W139 HydrophobicContact CZ3-CZ3 4.42Å; W121-W139 AromaticContact CZ3-NE1 3.98Å; W121-I142 WeakPolarHBondContact CA-O 3.49Å; W121-F145 HydrophobicContact CE3-CE1 4.34Å; W121-F145 AromaticContact CH2-CE1 3.31Å; W121-F145 HydrophobicContact CH2-CE1 3.31Å; W121-F145 AromaticContact CH2-CZ 3.59Å; W121-F145 HydrophobicContact CH2-CZ 3.59Å; W121-F145 AromaticContact CZ2-CE1 3.66Å; W121-F145 HydrophobicContact CZ2-CE1 3.66Å; W121-F145 HydrophobicContact CZ2-CZ 4.34Å; W121-F145 AromaticContact CZ3-CE1 3.67Å; W121-F145 HydrophobicContact CZ3-CE1 3.67Å; W121-F145 AromaticContact CZ3-CZ 3.88Å; W121-F145 HydrophobicContact CZ3-CZ 3.88Å; W121-F239 WeakPolarHBondContact O-CA 3.05Å; W121-F239 WeakPolarHBondContact O-CD1 3.31Å; W121-G240 PolarHBondContact N-O 2.69Å; W121-G240 PolarHBondContact O-N 2.92Å; W121-G240 VanDerWaalsContact O-N 3.12Å; W121-S242 PolarHBondContact NE1-OG 2.81Å
122	F	98.7	Very high	95.4	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	107.7	154.8	175.1	-94.5	0	0	0	108.7	V94 W99 G141 I142 I233 P234 F238 F239	V94-F122 HydrophobicContact CB-CE2 4.39Å; W99-F122 HydrophobicContact CZ2-CB 4.25Å; W99-F122 HydrophobicContact CZ2-CG 4.29Å; F122-G141 CarbonylContact O-C 3.16Å; F122-G141 WeakPolarHBondContact O-CA 3.12Å; F122-I142 HydrophobicContact CB-CD1 4.3Å; F122-I142 HydrophobicContact CB-CG1 3.85Å; F122-I142 PolarHBondContact N-O 3.49Å; F122-I142 PolarHBondContact O-N 2.87Å; F122-I233 HydrophobicContact CD1-CB 4.46Å; F122-I233 HydrophobicContact CD1-CD1 3.88Å; F122-I233 HydrophobicContact CD1-CG1 4.48Å; F122-I233 HydrophobicContact CE1-CB 4.38Å; F122-I233 HydrophobicContact CE1-CD1 3.75Å; F122-I233 HydrophobicContact CE1-CG1 4.12Å; F122-P234 WeakPolarHBondContact CE1-O 3.32Å; F122-F238 WeakPolarHBondContact CA-O 3.46Å; F122-F239 HydrophobicContact CB-CD1 4.17Å; F122-F239 HydrophobicContact CB-CE1 3.91Å; F122-F239 HydrophobicContact CB-CZ 4.44Å; F122-F239 HydrophobicContact CD2-CD1 4.17Å; F122-F239 HydrophobicContact CD2-CD2 4.05Å; F122-F239 AromaticContact CD2-CE1 3.8Å; F122-F239 HydrophobicContact CD2-CE1 3.8Å; F122-F239 AromaticContact CD2-CE2 3.64Å; F122-F239 HydrophobicContact CD2-CE2 3.64Å; F122-F239 HydrophobicContact CD2-CG 4.3Å; F122-F239 AromaticContact CD2-CZ 3.51Å; F122-F239 HydrophobicContact CD2-CZ 3.51Å; F122-F239 AromaticContact CE2-CE2 3.99Å; F122-F239 HydrophobicContact CE2-CE2 3.99Å; F122-F239 HydrophobicContact CE2-CZ 4.15Å; F122-F239 HydrophobicContact CG-CE1 4.25Å; F122-F239 HydrophobicContact CG-CZ 4.28Å
123	T	98.4	Very high	96.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.4	-168.4	56.1	0	0	0	0	112.2	W89 W121 E125 W139 N140 G237 F238	W89-T123 WeakPolarHBondContact CH2-OG1 3.48Å; W89-T123 WeakPolarHBondContact CZ3-OG1 3.27Å; W121-T123 HydrophobicContact CB-CG2 4.31Å; W121-T123 HydrophobicContact CE3-CG2 3.97Å; T123-E125 WeakPolarHBondContact CB-O 3.18Å; T123-E125 PolarHBondContact O-N 3.48Å; T123-E125 PolarHBondContact OG1-O 2.94Å; T123-W139 HydrophobicContact CG2-CB 3.82Å; T123-W139 HydrophobicContact CG2-CG 4.02Å; T123-N140 WeakPolarHBondContact CA-O 3.26Å; T123-G237 CarbonylContact O-C 2.98Å; T123-G237 WeakPolarHBondContact O-CA 3.38Å; T123-F238 PolarHBondContact N-O 3.08Å; T123-F238 PolarHBondContact O-N 2.91Å
124	S	97.8	Very high	96.5	Very high	25 Å²	25	25 Å²	25	18%	0.175	14%	0.135	C	C	.	.	S	Bend	trans	-60.4	-28.6	-179.9	52.6	0	0	0	0	114.5	K93 N140 F238	K93-S124 WeakPolarHBondContact CE-O 3.47Å; S124-N140 PolarHBondContact N-O 3.29Å; S124-N140 WeakPolarHBondContact OG-CB 3.5Å; S124-N140 PolarHBondContact OG-O 3.13Å; S124-F238 WeakPolarHBondContact O-CE2 3.46Å
125	E	97.6	Very high	96.8	Very high	152 Å²	152	24.9 Å²	24.9	71%	0.71	14%	0.135	S	C	*	.	S	Bend	trans	-125.9	157.5	176.6	-63.1	-172.6	174.2	0	0	110.9	T123	T123-E125 WeakPolarHBondContact CB-O 3.18Å; T123-E125 PolarHBondContact O-N 3.48Å; T123-E125 PolarHBondContact OG1-O 2.94Å
126	Q	97.7	Very high	96.9	Very high	61 Å²	61	26.4 Å²	26.4	29%	0.285	15%	0.147	S	C	.	.			trans	-76.1	124.7	175.9	-63.7	169.8	-39.3	0	0	110.4	I63 W89 T90 L128 F238	I63-Q126 VanDerWaalsContact CD1-NE2 3.3Å; W89-Q126 HydrophobicContact CB-CB 4.48Å; W89-Q126 HydrophobicContact CB-CG 4.22Å; W89-Q126 HydrophobicContact CD2-CB 4.29Å; W89-Q126 HydrophobicContact CE3-CB 4.38Å; W89-Q126 HydrophobicContact CE3-CG 4.47Å; W89-Q126 HydrophobicContact CG-CB 4.34Å; T90-Q126 PolarHBondContact O-NE2 2.94Å; Q126-L128 HydrophobicContact CB-CD2 4.08Å; Q126-L128 HydrophobicContact CB-CG 4.05Å; Q126-L128 PolarHBondContact O-N 2.66Å; Q126-F238 HydrophobicContact CG-CB 4.12Å; Q126-F238 HydrophobicContact CG-CD1 3.76Å; Q126-F238 HydrophobicContact CG-CD2 3.81Å; Q126-F238 HydrophobicContact CG-CE1 4.02Å; Q126-F238 HydrophobicContact CG-CE2 4.08Å; Q126-F238 HydrophobicContact CG-CG 3.62Å; Q126-F238 HydrophobicContact CG-CZ 4.16Å
127	G	94.4	Very high	96.9	Very high	6 Å²	6	27.5 Å²	27.5	6%	0.062	15%	0.153	C	C	.	.			trans	-89.7	66.9	173.9	0	0	0	0	0	112.1	W89 D129 A135	W89-G127 VanDerWaalsContact CZ2-CA 3.49Å; W89-G127 WeakPolarHBondContact CZ2-O 3.44Å; W89-G127 PolarHBondContact NE1-O 2.84Å; G127-D129 VanDerWaalsContact C-N 3.27Å; G127-D129 PolarHBondContact O-N 3.43Å; G127-A135 WeakPolarHBondContact O-CA 3.34Å; G127-A135 WeakPolarHBondContact O-CB 3.42Å
128	L	92.4	Very high	96.8	Very high	67 Å²	67	31.1 Å²	31.1	35%	0.351	18%	0.175	S	C	.	.			trans	-63.9	-25.8	-168.7	-64.4	177	0	0	0	115.3	I63 S65 S87 W89 Q126	I63-L128 HydrophobicContact CD1-CD1 4.37Å; I63-L128 HydrophobicContact CD1-CD2 3.56Å; I63-L128 HydrophobicContact CG1-CD2 4.18Å; S65-L128 WeakPolarHBondContact CB-O 3.19Å; S65-L128 PolarHBondContact OG-O 3.33Å; S87-L128 PolarHBondContact OG-O 3.12Å; W89-L128 HydrophobicContact CB-CD2 4.35Å; W89-L128 HydrophobicContact CG-CD2 4.17Å; Q126-L128 HydrophobicContact CB-CD2 4.08Å; Q126-L128 HydrophobicContact CB-CG 4.05Å; Q126-L128 PolarHBondContact O-N 2.66Å
129	D	95.5	Very high	96.8	Very high	95 Å²	95	31.9 Å²	31.9	51%	0.508	18%	0.178	S	C	.	.	S	Bend	trans	-155.3	155.8	174.2	-178.4	37.6	0	0	0	109.9	G127 G134 A135 A136	G127-D129 VanDerWaalsContact C-N 3.27Å; G127-D129 PolarHBondContact O-N 3.43Å; D129-G134 WeakPolarHBondContact CA-O 3.27Å; D129-A135 CarbonylContact O-C 3.55Å; D129-A136 WeakPolarHBondContact O-CA 3.36Å; D129-A136 PolarHBondContact O-N 2.93Å
130	G	95.7	Very high	96.7	Very high	8 Å²	8	35 Å²	35	8%	0.082	20%	0.195	C	C	.	.			trans	156.6	-176.8	172.4	0	0	0	0	0	113.8	R85 G134 A135	R85-G130 VanDerWaalsContact CD-O 3.31Å; R85-G130 WeakPolarHBondContact CD-O 3.27Å; R85-G130 PolarHBondContact NE-O 2.89Å; R85-G130 PolarHBondContact NH1-O 2.72Å; G130-G134 PolarHBondContact N-O 3.15Å; G130-G134 CarbonylContact O-C 3.53Å; G130-G134 VanDerWaalsContact O-CA 3.3Å; G130-G134 WeakPolarHBondContact O-CA 3.25Å; G130-A135 CarbonylContact C-O 3.58Å; G130-A135 VanDerWaalsContact CA-C 3.49Å; G130-A135 WeakPolarHBondContact CA-O 3.09Å
131	P	95.8	Very high	96.7	Very high	63 Å²	63	35 Å²	35	41%	0.409	20%	0.195	S	C	.	.	S	Bend	trans	-78.8	-17.4	-172.5	31.9	-34.4	0	0	0	114.2	Y133 D137	P131-Y133 PolarHBondContact O-N 2.91Å; P131-D137 HydrophobicContact CG-CB 3.72Å
132	V	97.6	Very high	96.7	Very high	3 Å²	3	35 Å²	35	2%	0.018	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-91.2	92.6	-172.3	-176.2	0	0	0	0	109.3	W121 G134 A135 D137 W139 F145 Y171	W121-V132 HydrophobicContact CH2-CB 4.37Å; W121-V132 HydrophobicContact CH2-CG1 3.73Å; W121-V132 HydrophobicContact CZ2-CG1 4.07Å; V132-G134 PolarHBondContact O-N 2.92Å; V132-G134 VanDerWaalsContact O-N 3.08Å; V132-A135 PolarHBondContact N-O 3.24Å; V132-A135 PolarHBondContact O-N 3.47Å; V132-D137 HydrophobicContact CG2-CB 4.25Å; V132-D137 WeakPolarHBondContact CG2-OD1 3.42Å; V132-W139 HydrophobicContact CG1-CZ3 4.43Å; V132-F145 HydrophobicContact CG1-CE1 4.35Å; V132-F145 HydrophobicContact CG1-CE2 4.47Å; V132-F145 HydrophobicContact CG1-CZ 3.99Å; V132-Y171 HydrophobicContact CB-CD1 4.43Å; V132-Y171 HydrophobicContact CG1-CD1 3.75Å; V132-Y171 HydrophobicContact CG1-CE1 4.29Å; V132-Y171 HydrophobicContact CG1-CG 4.01Å; V132-Y171 HydrophobicContact CG2-CD1 3.96Å; V132-Y171 HydrophobicContact CG2-CG 4.11Å
133	Y	97.7	Very high	96.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	39.4	-174	-54	-81.6	0	0	0	112.2	A119 P131 F145 D147 Y171 S242 A243	A119-Y133 HydrophobicContact CB-CD2 4.07Å; A119-Y133 HydrophobicContact CB-CG 4.17Å; P131-Y133 PolarHBondContact O-N 2.91Å; Y133-F145 HydrophobicContact CD2-CB 4.37Å; Y133-F145 AromaticContact CD2-CD1 3.95Å; Y133-F145 HydrophobicContact CD2-CD1 3.95Å; Y133-F145 HydrophobicContact CD2-CE1 4.39Å; Y133-F145 HydrophobicContact CD2-CG 4.04Å; Y133-F145 HydrophobicContact CE2-CB 3.75Å; Y133-F145 HydrophobicContact CE2-CD1 4.02Å; Y133-F145 AromaticContact CE2-CD2 3.88Å; Y133-F145 HydrophobicContact CE2-CD2 3.88Å; Y133-F145 AromaticContact CE2-CG 3.61Å; Y133-F145 HydrophobicContact CE2-CG 3.61Å; Y133-D147 HydrophobicContact CE1-CB 4.48Å; Y133-D147 WeakPolarHBondContact OH-CB 3.45Å; Y133-D147 PolarHBondContact OH-OD2 3.4Å; Y133-Y171 AromaticContact CE2-CE1 3.95Å; Y133-Y171 HydrophobicContact CE2-CE1 3.95Å; Y133-Y171 PolarHBondContact OH-OH 3.5Å; Y133-S242 CarbonylContact O-C 3.36Å; Y133-S242 WeakPolarHBondContact O-CB 3.29Å; Y133-S242 PolarHBondContact O-OG 2.92Å; Y133-A243 CarbonylContact O-C 3.5Å; Y133-A243 WeakPolarHBondContact O-CA 3.47Å; Y133-A243 PolarHBondContact O-N 3.04Å
134	G	96.8	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	4.8	178.9	0	0	0	0	0	115.6	D129 G130 V132	D129-G134 WeakPolarHBondContact CA-O 3.27Å; G130-G134 PolarHBondContact N-O 3.15Å; G130-G134 CarbonylContact O-C 3.53Å; G130-G134 VanDerWaalsContact O-CA 3.3Å; G130-G134 WeakPolarHBondContact O-CA 3.25Å; V132-G134 PolarHBondContact O-N 2.92Å; V132-G134 VanDerWaalsContact O-N 3.08Å
135	A	97.4	Very high	96.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-119.8	171.2	176.4	0	0	0	0	0	112.5	W89 W121 G127 D129 G130 V132 S242	W89-A135 HydrophobicContact CZ2-CB 4.17Å; W121-A135 HydrophobicContact CZ2-CB 3.71Å; G127-A135 WeakPolarHBondContact O-CA 3.34Å; G127-A135 WeakPolarHBondContact O-CB 3.42Å; D129-A135 CarbonylContact O-C 3.55Å; G130-A135 CarbonylContact C-O 3.58Å; G130-A135 VanDerWaalsContact CA-C 3.49Å; G130-A135 WeakPolarHBondContact CA-O 3.09Å; V132-A135 PolarHBondContact N-O 3.24Å; V132-A135 PolarHBondContact O-N 3.47Å; A135-S242 WeakPolarHBondContact CB-OG 3.39Å
136	A	96.6	Very high	96.8	Very high	32 Å²	32	26.4 Å²	26.4	26%	0.264	15%	0.153	S	C	.	.			trans	-57.6	142.2	-175.8	0	0	0	0	0	112.8	D129 T138	D129-A136 WeakPolarHBondContact O-CA 3.36Å; D129-A136 PolarHBondContact O-N 2.93Å; A136-T138 VanDerWaalsContact C-N 3.34Å; A136-T138 PolarHBondContact O-N 3.28Å
137	D	93.7	Very high	96.8	Very high	48 Å²	48	23.5 Å²	23.5	26%	0.257	14%	0.139	S	C	.	.	S	Bend	trans	-74.8	-22.9	-175	-163.6	7.5	0	0	0	114	P131 V132 W139 V170 Y171	P131-D137 HydrophobicContact CG-CB 3.72Å; V132-D137 HydrophobicContact CG2-CB 4.25Å; V132-D137 WeakPolarHBondContact CG2-OD1 3.42Å; D137-W139 WeakPolarHBondContact O-CZ3 3.39Å; D137-V170 WeakPolarHBondContact OD2-CG1 3.32Å; D137-Y171 PolarHBondContact OD1-N 3.49Å
138	T	94.3	Very high	96.9	Very high	76 Å²	76	23.7 Å²	23.7	47%	0.466	14%	0.139	S	C	.	.			trans	-116.9	129	174.5	53.2	0	0	0	0	108.3	A136	A136-T138 VanDerWaalsContact C-N 3.34Å; A136-T138 PolarHBondContact O-N 3.28Å
139	W	97.7	Very high	97	Very high	16 Å²	16	23.6 Å²	23.6	6%	0.061	14%	0.137	C	C	.	.			trans	-141.4	151.3	176.4	68.6	98.2	0	0	0	110.1	W121 T123 V132 D137 G141 F145 V163 N165 G167 Y171	W121-W139 HydrophobicContact CE3-CG 4.44Å; W121-W139 HydrophobicContact CH2-CD2 4.31Å; W121-W139 HydrophobicContact CH2-CE3 4.23Å; W121-W139 HydrophobicContact CH2-CZ3 4.38Å; W121-W139 AromaticContact CZ3-CD2 3.61Å; W121-W139 HydrophobicContact CZ3-CD2 3.61Å; W121-W139 AromaticContact CZ3-CE2 3.69Å; W121-W139 AromaticContact CZ3-CE3 3.99Å; W121-W139 HydrophobicContact CZ3-CE3 3.99Å; W121-W139 AromaticContact CZ3-CG 3.92Å; W121-W139 HydrophobicContact CZ3-CG 3.92Å; W121-W139 HydrophobicContact CZ3-CH2 4.5Å; W121-W139 HydrophobicContact CZ3-CZ2 4.15Å; W121-W139 HydrophobicContact CZ3-CZ3 4.42Å; W121-W139 AromaticContact CZ3-NE1 3.98Å; T123-W139 HydrophobicContact CG2-CB 3.82Å; T123-W139 HydrophobicContact CG2-CG 4.02Å; V132-W139 HydrophobicContact CG1-CZ3 4.43Å; D137-W139 WeakPolarHBondContact O-CZ3 3.39Å; W139-G141 PolarHBondContact NE1-O 2.88Å; W139-F145 HydrophobicContact CH2-CE2 4.22Å; W139-F145 AromaticContact CH2-CZ 3.8Å; W139-F145 HydrophobicContact CH2-CZ 3.8Å; W139-F145 HydrophobicContact CZ2-CE2 4.37Å; W139-F145 AromaticContact CZ2-CZ 3.8Å; W139-F145 HydrophobicContact CZ2-CZ 3.8Å; W139-V163 HydrophobicContact CH2-CG1 4.11Å; W139-V163 HydrophobicContact CZ2-CB 4.09Å; W139-V163 HydrophobicContact CZ2-CG1 3.72Å; W139-N165 HydrophobicContact CD2-CB 3.69Å; W139-N165 HydrophobicContact CE3-CB 4.37Å; W139-N165 HydrophobicContact CG-CB 3.97Å; W139-N165 HydrophobicContact CH2-CB 4.39Å; W139-N165 HydrophobicContact CZ2-CB 3.73Å; W139-N165 CarbonylContact O-C 3.47Å; W139-N165 VanDerWaalsContact O-C 3.31Å; W139-N165 WeakPolarHBondContact O-CB 3.28Å; W139-N165 PolarHBondContact O-ND2 2.91Å; W139-N165 PolarHBondContact O-OD1 3.37Å; W139-G167 VanDerWaalsContact O-CA 3.28Å; W139-G167 WeakPolarHBondContact O-CA 3.42Å; W139-G167 PolarHBondContact O-N 3.49Å; W139-Y171 HydrophobicContact CH2-CD2 4.15Å; W139-Y171 HydrophobicContact CH2-CG 4.42Å
140	N	98.2	Very high	97	Very high	66 Å²	66	21.2 Å²	21.2	35%	0.353	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108	167.5	173.1	24.3	0	0	0	108.1	T123 S124 N165 P234	T123-N140 WeakPolarHBondContact CA-O 3.26Å; S124-N140 PolarHBondContact N-O 3.29Å; S124-N140 WeakPolarHBondContact OG-CB 3.5Å; S124-N140 PolarHBondContact OG-O 3.13Å; N140-N165 CarbonylContact C-O 3.5Å; N140-N165 WeakPolarHBondContact CA-O 3.35Å; N140-P234 WeakPolarHBondContact O-CG 3.31Å
141	G	98	Very high	96.9	Very high	4 Å²	4	23 Å²	23	4%	0.041	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.6	-145.6	-170.4	0	0	0	0	0	112.4	F122 W139 N165	F122-G141 CarbonylContact O-C 3.16Å; F122-G141 WeakPolarHBondContact O-CA 3.12Å; W139-G141 PolarHBondContact NE1-O 2.88Å; G141-N165 PolarHBondContact N-O 3.35Å; G141-N165 PolarHBondContact O-N 2.92Å
142	I	98.2	Very high	96.7	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.5	-173.8	66.6	171.6	0	0	0	111.7	W99 W121 F122 L207 M231 I233	W99-I142 HydrophobicContact CH2-CD1 3.95Å; W99-I142 HydrophobicContact CZ2-CD1 3.97Å; W121-I142 WeakPolarHBondContact CA-O 3.49Å; F122-I142 HydrophobicContact CB-CD1 4.3Å; F122-I142 HydrophobicContact CB-CG1 3.85Å; F122-I142 PolarHBondContact N-O 3.49Å; F122-I142 PolarHBondContact O-N 2.87Å; I142-L207 HydrophobicContact CD1-CD1 3.7Å; I142-L207 HydrophobicContact CD1-CD2 4Å; I142-M231 HydrophobicContact CB-CE 4.07Å; I142-M231 HydrophobicContact CG2-CE 3.17Å; I142-M231 HydrophobicContact CG2-SD 3.86Å; I142-I233 HydrophobicContact CG2-CG2 3.39Å
143	G	98.3	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.3	167.2	0	0	0	0	0	110	V120 V163	V120-G143 WeakPolarHBondContact O-CA 3.24Å; G143-V163 PolarHBondContact N-O 3.12Å; G143-V163 PolarHBondContact O-N 3.29Å
144	V	98.8	Very high	96.2	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.4	169.3	-174.9	0	0	0	0	107.4	A119 V120 F146 I160 L161 V162 I200 V209	A119-V144 WeakPolarHBondContact CA-O 3.41Å; V120-V144 HydrophobicContact CB-CB 4.46Å; V120-V144 PolarHBondContact N-O 2.81Å; V120-V144 PolarHBondContact O-N 3.31Å; V144-F146 HydrophobicContact CG1-CE2 3.95Å; V144-F146 HydrophobicContact CG1-CZ 4.26Å; V144-I160 HydrophobicContact CG1-CG2 4.04Å; V144-L161 CarbonylContact C-O 3.46Å; V144-L161 WeakPolarHBondContact CA-O 3.27Å; V144-V162 HydrophobicContact CG1-CG2 4.49Å; V144-V162 HydrophobicContact CG2-CG2 4.3Å; V144-I200 HydrophobicContact CB-CD1 4.06Å; V144-I200 HydrophobicContact CG1-CD1 4.24Å; V144-I200 HydrophobicContact CG2-CD1 3.97Å; V144-I200 HydrophobicContact CG2-CG2 4.27Å; V144-V209 HydrophobicContact CG1-CG1 4.48Å; V144-V209 HydrophobicContact CG1-CG2 4.29Å
145	F	98.6	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.4	-172.3	-54.1	-28.1	0	0	0	110.3	A119 W121 V132 Y133 W139 I160 L161 V163 Y171	A119-F145 HydrophobicContact CB-CD1 3.48Å; A119-F145 VanDerWaalsContact CB-CD1 3.48Å; A119-F145 HydrophobicContact CB-CE1 3.83Å; W121-F145 HydrophobicContact CE3-CE1 4.34Å; W121-F145 AromaticContact CH2-CE1 3.31Å; W121-F145 HydrophobicContact CH2-CE1 3.31Å; W121-F145 AromaticContact CH2-CZ 3.59Å; W121-F145 HydrophobicContact CH2-CZ 3.59Å; W121-F145 AromaticContact CZ2-CE1 3.66Å; W121-F145 HydrophobicContact CZ2-CE1 3.66Å; W121-F145 HydrophobicContact CZ2-CZ 4.34Å; W121-F145 AromaticContact CZ3-CE1 3.67Å; W121-F145 HydrophobicContact CZ3-CE1 3.67Å; W121-F145 AromaticContact CZ3-CZ 3.88Å; W121-F145 HydrophobicContact CZ3-CZ 3.88Å; V132-F145 HydrophobicContact CG1-CE1 4.35Å; V132-F145 HydrophobicContact CG1-CE2 4.47Å; V132-F145 HydrophobicContact CG1-CZ 3.99Å; Y133-F145 HydrophobicContact CD2-CB 4.37Å; Y133-F145 AromaticContact CD2-CD1 3.95Å; Y133-F145 HydrophobicContact CD2-CD1 3.95Å; Y133-F145 HydrophobicContact CD2-CE1 4.39Å; Y133-F145 HydrophobicContact CD2-CG 4.04Å; Y133-F145 HydrophobicContact CE2-CB 3.75Å; Y133-F145 HydrophobicContact CE2-CD1 4.02Å; Y133-F145 AromaticContact CE2-CD2 3.88Å; Y133-F145 HydrophobicContact CE2-CD2 3.88Å; Y133-F145 AromaticContact CE2-CG 3.61Å; Y133-F145 HydrophobicContact CE2-CG 3.61Å; W139-F145 HydrophobicContact CH2-CE2 4.22Å; W139-F145 AromaticContact CH2-CZ 3.8Å; W139-F145 HydrophobicContact CH2-CZ 3.8Å; W139-F145 HydrophobicContact CZ2-CE2 4.37Å; W139-F145 AromaticContact CZ2-CZ 3.8Å; W139-F145 HydrophobicContact CZ2-CZ 3.8Å; F145-I160 CarbonylContact O-C 3.51Å; F145-I160 WeakPolarHBondContact O-CA 3.34Å; F145-L161 HydrophobicContact CB-CB 4.48Å; F145-L161 HydrophobicContact CB-CD1 4.14Å; F145-L161 PolarHBondContact N-O 3.12Å; F145-L161 PolarHBondContact O-N 3.12Å; F145-V163 HydrophobicContact CD2-CB 4.3Å; F145-V163 HydrophobicContact CD2-CG2 3.71Å; F145-V163 HydrophobicContact CE2-CB 3.65Å; F145-V163 HydrophobicContact CE2-CG1 4.37Å; F145-V163 HydrophobicContact CE2-CG2 3.5Å; F145-V163 HydrophobicContact CZ-CB 4.22Å; F145-V163 HydrophobicContact CZ-CG2 4.5Å; F145-Y171 AromaticContact CD2-CE2 3.73Å; F145-Y171 HydrophobicContact CD2-CE2 3.73Å; F145-Y171 AromaticContact CD2-CZ 3.77Å; F145-Y171 AromaticContact CE2-CD2 3.8Å; F145-Y171 HydrophobicContact CE2-CD2 3.8Å; F145-Y171 AromaticContact CE2-CE2 3.39Å; F145-Y171 HydrophobicContact CE2-CE2 3.39Å; F145-Y171 AromaticContact CE2-CZ 3.8Å
146	F	98.5	Very high	95.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	86.2	173.4	-64	-100.7	0	0	0	105.6	F105 G117 L118 V120 V144 I160 F189 A198 I211	F105-F146 HydrophobicContact CE1-CD1 4.27Å; F105-F146 AromaticContact CE1-CE1 3.87Å; F105-F146 HydrophobicContact CE1-CE1 3.87Å; F105-F146 HydrophobicContact CE1-CZ 4.06Å; F105-F146 HydrophobicContact CE2-CD1 4.33Å; F105-F146 AromaticContact CZ-CD1 3.52Å; F105-F146 HydrophobicContact CZ-CD1 3.52Å; F105-F146 AromaticContact CZ-CE1 3.51Å; F105-F146 HydrophobicContact CZ-CE1 3.51Å; F105-F146 HydrophobicContact CZ-CG 4.15Å; F105-F146 HydrophobicContact CZ-CZ 4.13Å; G117-F146 VanDerWaalsContact CA-O 3.22Å; G117-F146 WeakPolarHBondContact CA-O 3.36Å; L118-F146 HydrophobicContact CD1-CB 4.05Å; L118-F146 HydrophobicContact CD1-CD2 3.39Å; L118-F146 HydrophobicContact CD1-CE2 4.04Å; L118-F146 HydrophobicContact CD1-CG 3.87Å; L118-F146 HydrophobicContact CG-CB 3.99Å; L118-F146 HydrophobicContact CG-CD2 4.27Å; L118-F146 HydrophobicContact CG-CG 4.32Å; L118-F146 PolarHBondContact N-O 2.78Å; L118-F146 VanDerWaalsContact N-O 3.15Å; L118-F146 PolarHBondContact O-N 2.84Å; V120-F146 HydrophobicContact CG2-CE2 4.01Å; V144-F146 HydrophobicContact CG1-CE2 3.95Å; V144-F146 HydrophobicContact CG1-CZ 4.26Å; F146-I160 HydrophobicContact CD1-CD1 3.75Å; F146-I160 HydrophobicContact CD1-CG1 3.68Å; F146-I160 HydrophobicContact CD1-CG2 4.44Å; F146-I160 HydrophobicContact CE1-CD1 3.62Å; F146-I160 HydrophobicContact CE1-CG1 3.97Å; F146-I160 HydrophobicContact CE1-CG2 4.23Å; F146-I160 HydrophobicContact CG-CG1 4.44Å; F146-I160 HydrophobicContact CZ-CG2 4.44Å; F146-F189 HydrophobicContact CB-CD1 4.31Å; F146-F189 HydrophobicContact CB-CE1 3.8Å; F146-F189 HydrophobicContact CB-CE2 4.16Å; F146-F189 HydrophobicContact CB-CZ 3.73Å; F146-F189 HydrophobicContact CD1-CD1 4.2Å; F146-F189 HydrophobicContact CD1-CE1 4.45Å; F146-F189 VanDerWaalsContact O-CZ 3.3Å; F146-F189 WeakPolarHBondContact O-CZ 3.2Å; F146-A198 HydrophobicContact CE1-CB 4.11Å; F146-A198 HydrophobicContact CZ-CB 3.57Å; F146-I211 HydrophobicContact CE1-CD1 3.83Å; F146-I211 HydrophobicContact CZ-CD1 4.23Å
147	D	97.9	Very high	95.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.2	-173.4	-163.2	-7.4	0	0	0	110.7	Y133 F149 P158 A159 L161 F189	Y133-D147 HydrophobicContact CE1-CB 4.48Å; Y133-D147 WeakPolarHBondContact OH-CB 3.45Å; Y133-D147 PolarHBondContact OH-OD2 3.4Å; D147-F149 PolarHBondContact OD1-N 2.82Å; D147-P158 CarbonylContact O-C 3.59Å; D147-P158 WeakPolarHBondContact O-CA 3.44Å; D147-P158 WeakPolarHBondContact O-CB 3.44Å; D147-A159 PolarHBondContact N-O 3.4Å; D147-A159 PolarHBondContact O-N 3.04Å; D147-L161 HydrophobicContact CB-CD1 3.69Å; D147-F189 WeakPolarHBondContact O-CZ 3.29Å
148	S	96.5	Very high	95.8	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.07	21%	0.21	C	C	.	.			trans	-101.9	-20.6	-175.2	62.2	0	0	0	0	113.5	A115 D116	A115-S148 WeakPolarHBondContact CA-OG 3.42Å; D116-S148 PolarHBondContact O-N 2.71Å; D116-S148 PolarHBondContact O-OG 2.96Å
149	F	95.9	Very high	95.9	Very high	66 Å²	66	36 Å²	36	29%	0.289	19%	0.189	S	C	.	.	S	Bend	trans	-108.9	142.4	-174.1	-168.7	-111.8	0	0	0	110	A115 D147 N151 N157 L248	A115-F149 HydrophobicContact CB-CB 3.68Å; A115-F149 HydrophobicContact CB-CD2 3.87Å; A115-F149 HydrophobicContact CB-CG 3.8Å; D147-F149 PolarHBondContact OD1-N 2.82Å; F149-N151 WeakPolarHBondContact CD1-OD1 3.32Å; F149-N157 PolarHBondContact O-ND2 2.81Å; F149-L248 HydrophobicContact CD2-CD1 4.01Å; F149-L248 HydrophobicContact CE2-CD1 3.71Å
150	D	94.3	Very high	95.9	Very high	44 Å²	44	35.3 Å²	35.3	24%	0.235	19%	0.186	C	C	.	.			trans	-98.8	88.7	-178.9	176.5	10.4	0	0	0	107.9	D152 G153 K154 K155 N157	D150-D152 VanDerWaalsContact C-N 3.34Å; D150-G153 WeakPolarHBondContact OD1-CA 3.41Å; D150-G153 PolarHBondContact OD1-N 2.87Å; D150-G153 WeakPolarHBondContact OD2-CA 3.48Å; D150-K154 PolarHBondContact OD1-N 3.34Å; D150-K154 VanDerWaalsContact OD1-N 3.1Å; D150-K155 WeakPolarHBondContact OD2-CA 3.38Å; D150-K155 PolarHBondContact OD2-N 2.66Å; D150-N157 HydrophobicContact CB-CB 4.09Å; D150-N157 WeakPolarHBondContact CB-OD1 3.32Å
151	N	93.9	Very high	95.9	Very high	45 Å²	45	32.3 Å²	32.3	24%	0.241	17%	0.17	C	C	.	.	S	Bend	trans	-74.7	-28.8	-178.4	-59	62.6	0	0	0	111.4	F149 H173 D176	F149-N151 WeakPolarHBondContact CD1-OD1 3.32Å; N151-H173 WeakPolarHBondContact CB-O 3.41Å; N151-H173 PolarHBondContact ND2-NE2 3.38Å; N151-D176 WeakPolarHBondContact CB-OD1 3.28Å; N151-D176 PolarHBondContact N-OD1 3.42Å; N151-D176 PolarHBondContact OD1-OD1 3.12Å
152	D	92.3	Very high	95.9	Very high	35 Å²	35	32.1 Å²	32.1	19%	0.187	17%	0.168	C	C	.	.	S	Bend	trans	-93.7	-8.6	-173.4	82.4	6.7	0	0	0	114.4	D150 K154	D150-D152 VanDerWaalsContact C-N 3.34Å; D152-K154 VanDerWaalsContact C-N 3.32Å; D152-K154 PolarHBondContact O-N 2.83Å; D152-K154 WeakPolarHBondContact OD1-CB 3.35Å; D152-K154 WeakPolarHBondContact OD1-CG 3.26Å; D152-K154 PolarHBondContact OD1-N 2.85Å; D152-K154 VanDerWaalsContact OD2-CD 3.22Å; D152-K154 WeakPolarHBondContact OD2-CD 3.31Å; D152-K154 WeakPolarHBondContact OD2-CE 3.39Å; D152-K154 IonicContact OD2-NZ 2.68Å; D152-K154 PolarHBondContact OD2-NZ 3.03Å
153	G	91.7	Very high	95.9	Very high	50 Å²	50	32 Å²	32	52%	0.515	17%	0.168	S	C	.	.	S	Bend	trans	75.2	14.5	175.5	0	0	0	0	0	114.4	D150 K155	D150-G153 WeakPolarHBondContact OD1-CA 3.41Å; D150-G153 PolarHBondContact OD1-N 2.87Å; D150-G153 WeakPolarHBondContact OD2-CA 3.48Å; G153-K155 VanDerWaalsContact C-N 3.29Å
154	K	93.1	Very high	95.9	Very high	125 Å²	125	33 Å²	33	54%	0.543	18%	0.178	S	C	.	.	S	Bend	trans	-83.3	-1.8	-178.4	-67.8	177.3	-164.2	139.5	0	113.5	D150 D152 N156	D150-K154 PolarHBondContact OD1-N 3.34Å; D150-K154 VanDerWaalsContact OD1-N 3.1Å; D152-K154 VanDerWaalsContact C-N 3.32Å; D152-K154 PolarHBondContact O-N 2.83Å; D152-K154 WeakPolarHBondContact OD1-CB 3.35Å; D152-K154 WeakPolarHBondContact OD1-CG 3.26Å; D152-K154 PolarHBondContact OD1-N 2.85Å; D152-K154 VanDerWaalsContact OD2-CD 3.22Å; D152-K154 WeakPolarHBondContact OD2-CD 3.31Å; D152-K154 WeakPolarHBondContact OD2-CE 3.39Å; D152-K154 IonicContact OD2-NZ 2.68Å; D152-K154 PolarHBondContact OD2-NZ 3.03Å; K154-N156 VanDerWaalsContact C-N 3.31Å; K154-N156 WeakPolarHBondContact CB-OD1 3.36Å; K154-N156 PolarHBondContact O-N 3.02Å
155	K	91.7	Very high	95.8	Very high	187 Å²	187	33.5 Å²	33.5	81%	0.813	18%	0.181	S	C	*	.	S	Bend	trans	59.8	38.7	175.1	-55.3	-178.6	179.1	179.3	0	113.4	D150 G153	D150-K155 WeakPolarHBondContact OD2-CA 3.38Å; D150-K155 PolarHBondContact OD2-N 2.66Å; G153-K155 VanDerWaalsContact C-N 3.29Å
156	N	91.6	Very high	95.7	Very high	43 Å²	43	38.2 Å²	38.2	23%	0.23	21%	0.206	C	C	.	.			trans	-115.8	29.5	-178.8	58.4	-49.2	0	0	0	111.5	K154 A159 L186	K154-N156 VanDerWaalsContact C-N 3.31Å; K154-N156 WeakPolarHBondContact CB-OD1 3.36Å; K154-N156 PolarHBondContact O-N 3.02Å; N156-A159 WeakPolarHBondContact O-CB 3.44Å; N156-L186 HydrophobicContact CB-CD2 4.14Å; N156-L186 WeakPolarHBondContact O-CD2 3.36Å
157	N	95.1	Very high	95.6	Very high	34 Å²	34	39.6 Å²	39.6	18%	0.182	22%	0.22	C	C	.	.			trans	-124.4	149.7	-179.3	-49.5	60.3	0	0	0	108.8	F149 D150 D176	F149-N157 PolarHBondContact O-ND2 2.81Å; D150-N157 HydrophobicContact CB-CB 4.09Å; D150-N157 WeakPolarHBondContact CB-OD1 3.32Å; N157-D176 PolarHBondContact ND2-OD2 2.98Å; N157-D176 PolarHBondContact OD1-OD2 3.49Å
158	P	96.6	Very high	95.3	Very high	22 Å²	22	45.7 Å²	45.7	14%	0.143	25%	0.253	C	S	.	.	S	Bend	cis	-70.2	139.6	2	-20.4	34.3	0	0	0	114.4	D147 R187 D188 F189 R190	D147-P158 CarbonylContact O-C 3.59Å; D147-P158 WeakPolarHBondContact O-CA 3.44Å; D147-P158 WeakPolarHBondContact O-CB 3.44Å; P158-R187 CarbonylContact O-C 3.52Å; P158-R187 PolarHBondContact O-N 2.87Å; P158-D188 HydrophobicContact CG-CB 4.44Å; P158-F189 HydrophobicContact CB-CD1 3.9Å; P158-F189 HydrophobicContact CB-CE1 3.43Å; P158-F189 VanDerWaalsContact CB-CE1 3.43Å; P158-F189 HydrophobicContact CB-CE2 4.47Å; P158-F189 HydrophobicContact CB-CZ 3.75Å; P158-R190 HydrophobicContact CG-CG 4.24Å
159	A	97.2	Very high	95.1	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.033	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.4	-177	0	0	0	0	0	111	D147 N156 L161 L186	D147-A159 PolarHBondContact N-O 3.4Å; D147-A159 PolarHBondContact O-N 3.04Å; N156-A159 WeakPolarHBondContact O-CB 3.44Å; A159-L161 HydrophobicContact CB-CD1 4.11Å; A159-L161 HydrophobicContact CB-CG 4.44Å; A159-L186 HydrophobicContact CB-CD2 4.23Å
160	I	98.4	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.7	169.6	-58.1	172.2	0	0	0	107.5	V144 F145 F146 T184 C185 R187 F189 I211	V144-I160 HydrophobicContact CG1-CG2 4.04Å; F145-I160 CarbonylContact O-C 3.51Å; F145-I160 WeakPolarHBondContact O-CA 3.34Å; F146-I160 HydrophobicContact CD1-CD1 3.75Å; F146-I160 HydrophobicContact CD1-CG1 3.68Å; F146-I160 HydrophobicContact CD1-CG2 4.44Å; F146-I160 HydrophobicContact CE1-CD1 3.62Å; F146-I160 HydrophobicContact CE1-CG1 3.97Å; F146-I160 HydrophobicContact CE1-CG2 4.23Å; F146-I160 HydrophobicContact CG-CG1 4.44Å; F146-I160 HydrophobicContact CZ-CG2 4.44Å; I160-T184 CarbonylContact O-C 3.53Å; I160-T184 WeakPolarHBondContact O-CA 3.45Å; I160-T184 PolarHBondContact O-OG1 2.87Å; I160-C185 PolarHBondContact N-O 3.35Å; I160-C185 PolarHBondContact O-N 3.28Å; I160-R187 HydrophobicContact CD1-CB 3.81Å; I160-R187 HydrophobicContact CD1-CG 4.14Å; I160-R187 HydrophobicContact CG1-CB 4.39Å; I160-F189 HydrophobicContact CG1-CD1 4.26Å; I160-F189 HydrophobicContact CG1-CE1 4.45Å; I160-I211 HydrophobicContact CD1-CD1 3.65Å; I160-I211 HydrophobicContact CD1-CG1 3.59Å; I160-I211 HydrophobicContact CD1-CG2 4.46Å
161	L	97.7	Very high	95.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.6	-174.4	-43.7	94.5	0	0	0	110.2	V144 F145 D147 A159 D176 A181 G183	V144-L161 CarbonylContact C-O 3.46Å; V144-L161 WeakPolarHBondContact CA-O 3.27Å; F145-L161 HydrophobicContact CB-CB 4.48Å; F145-L161 HydrophobicContact CB-CD1 4.14Å; F145-L161 PolarHBondContact N-O 3.12Å; F145-L161 PolarHBondContact O-N 3.12Å; D147-L161 HydrophobicContact CB-CD1 3.69Å; A159-L161 HydrophobicContact CB-CD1 4.11Å; A159-L161 HydrophobicContact CB-CG 4.44Å; L161-D176 VanDerWaalsContact CD2-O 3.22Å; L161-D176 WeakPolarHBondContact CD2-O 3.47Å; L161-A181 HydrophobicContact CD2-CB 4.29Å; L161-G183 WeakPolarHBondContact CA-O 3.49Å
162	V	98.5	Very high	95.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121	170.2	176	0	0	0	0	108	V144 L182 G183 L207 V209 T226 V228 M231	V144-V162 HydrophobicContact CG1-CG2 4.49Å; V144-V162 HydrophobicContact CG2-CG2 4.3Å; V162-L182 PolarHBondContact O-N 2.83Å; V162-G183 PolarHBondContact N-O 3.44Å; V162-L207 HydrophobicContact CG1-CD2 3.53Å; V162-L207 HydrophobicContact CG2-CD2 4.19Å; V162-V209 HydrophobicContact CG2-CG2 3.86Å; V162-T226 HydrophobicContact CG2-CG2 3.61Å; V162-V228 HydrophobicContact CB-CG2 4.4Å; V162-V228 HydrophobicContact CG1-CG2 4.11Å; V162-M231 HydrophobicContact CG1-CE 4.03Å
163	V	98.3	Very high	95.1	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.4	178.5	-173.1	0	0	0	0	109.4	W139 G143 F145 Y171 Q180	W139-V163 HydrophobicContact CH2-CG1 4.11Å; W139-V163 HydrophobicContact CZ2-CB 4.09Å; W139-V163 HydrophobicContact CZ2-CG1 3.72Å; G143-V163 PolarHBondContact N-O 3.12Å; G143-V163 PolarHBondContact O-N 3.29Å; F145-V163 HydrophobicContact CD2-CB 4.3Å; F145-V163 HydrophobicContact CD2-CG2 3.71Å; F145-V163 HydrophobicContact CE2-CB 3.65Å; F145-V163 HydrophobicContact CE2-CG1 4.37Å; F145-V163 HydrophobicContact CE2-CG2 3.5Å; F145-V163 HydrophobicContact CZ-CB 4.22Å; F145-V163 HydrophobicContact CZ-CG2 4.5Å; V163-Y171 HydrophobicContact CG2-CE2 4.22Å; V163-Q180 HydrophobicContact CG1-CB 4.06Å
164	G	97.5	Very high	95	Very high	21 Å²	21	53.1 Å²	53.1	22%	0.216	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	141.5	171.2	0	0	0	0	0	110.3
165	N	97.6	Very high	95.1	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.064	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.3	177.2	-168.3	-9	0	0	0	109.5	W139 N140 G141 G167 N168 L169	W139-N165 HydrophobicContact CD2-CB 3.69Å; W139-N165 HydrophobicContact CE3-CB 4.37Å; W139-N165 HydrophobicContact CG-CB 3.97Å; W139-N165 HydrophobicContact CH2-CB 4.39Å; W139-N165 HydrophobicContact CZ2-CB 3.73Å; W139-N165 CarbonylContact O-C 3.47Å; W139-N165 VanDerWaalsContact O-C 3.31Å; W139-N165 WeakPolarHBondContact O-CB 3.28Å; W139-N165 PolarHBondContact O-ND2 2.91Å; W139-N165 PolarHBondContact O-OD1 3.37Å; N140-N165 CarbonylContact C-O 3.5Å; N140-N165 WeakPolarHBondContact CA-O 3.35Å; G141-N165 PolarHBondContact N-O 3.35Å; G141-N165 PolarHBondContact O-N 2.92Å; N165-G167 PolarHBondContact OD1-N 2.87Å; N165-G167 VanDerWaalsContact OD1-N 3.12Å; N165-N168 PolarHBondContact OD1-N 3.45Å; N165-L169 PolarHBondContact ND2-O 2.65Å; N165-L169 WeakPolarHBondContact OD1-CB 3.46Å; N165-L169 PolarHBondContact OD1-N 2.83Å
166	N	95.6	Very high	95.1	Very high	99 Å²	99	41.4 Å²	41.4	53%	0.529	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	12	-178.8	67.4	2.6	0	0	0	112.6	N168	N166-N168 WeakPolarHBondContact OD1-CB 3.3Å; N166-N168 PolarHBondContact OD1-N 2.97Å; N166-N168 VanDerWaalsContact OD1-N 3.12Å; N166-N168 PolarHBondContact OD1-ND2 2.87Å
167	G	95.3	Very high	95.1	Very high	28 Å²	28	39.4 Å²	39.4	29%	0.289	22%	0.22	S	C	.	.	S	Bend	trans	96.7	-5	-177.2	0	0	0	0	0	114.8	W139 N165	W139-G167 VanDerWaalsContact O-CA 3.28Å; W139-G167 WeakPolarHBondContact O-CA 3.42Å; W139-G167 PolarHBondContact O-N 3.49Å; N165-G167 PolarHBondContact OD1-N 2.87Å; N165-G167 VanDerWaalsContact OD1-N 3.12Å
168	N	93.1	Very high	94.8	Very high	129 Å²	129	40 Å²	40	69%	0.69	23%	0.225	S	C	*	.			trans	-113.7	-12.9	-174.4	-55.9	-70	0	0	0	114.4	N165 N166	N165-N168 PolarHBondContact OD1-N 3.45Å; N166-N168 WeakPolarHBondContact OD1-CB 3.3Å; N166-N168 PolarHBondContact OD1-N 2.97Å; N166-N168 VanDerWaalsContact OD1-N 3.12Å; N166-N168 PolarHBondContact OD1-ND2 2.87Å
169	L	92.4	Very high	94.6	Very high	82 Å²	82	44.3 Å²	44.3	43%	0.429	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-88.1	138.5	179.3	-53.7	174.7	0	0	0	109.8	N165	N165-L169 PolarHBondContact ND2-O 2.65Å; N165-L169 WeakPolarHBondContact OD1-CB 3.46Å; N165-L169 PolarHBondContact OD1-N 2.83Å
170	V	94.6	Very high	94.5	Very high	88 Å²	88	46.1 Å²	46.1	53%	0.533	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-96.1	134	169.1	169.7	0	0	0	0	107.5	D137 Q180	D137-V170 WeakPolarHBondContact OD2-CG1 3.32Å; V170-Q180 PolarHBondContact O-NE2 2.8Å
171	Y	96.1	Very high	94.4	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.047	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-74.3	130.1	-175.4	-177.8	-113.1	0	0	0	111.7	V132 Y133 D137 W139 F145 V163 H173 D176	V132-Y171 HydrophobicContact CB-CD1 4.43Å; V132-Y171 HydrophobicContact CG1-CD1 3.75Å; V132-Y171 HydrophobicContact CG1-CE1 4.29Å; V132-Y171 HydrophobicContact CG1-CG 4.01Å; V132-Y171 HydrophobicContact CG2-CD1 3.96Å; V132-Y171 HydrophobicContact CG2-CG 4.11Å; Y133-Y171 AromaticContact CE2-CE1 3.95Å; Y133-Y171 HydrophobicContact CE2-CE1 3.95Å; Y133-Y171 PolarHBondContact OH-OH 3.5Å; D137-Y171 PolarHBondContact OD1-N 3.49Å; W139-Y171 HydrophobicContact CH2-CD2 4.15Å; W139-Y171 HydrophobicContact CH2-CG 4.42Å; F145-Y171 AromaticContact CD2-CE2 3.73Å; F145-Y171 HydrophobicContact CD2-CE2 3.73Å; F145-Y171 AromaticContact CD2-CZ 3.77Å; F145-Y171 AromaticContact CE2-CD2 3.8Å; F145-Y171 HydrophobicContact CE2-CD2 3.8Å; F145-Y171 AromaticContact CE2-CE2 3.39Å; F145-Y171 HydrophobicContact CE2-CE2 3.39Å; F145-Y171 AromaticContact CE2-CZ 3.8Å; V163-Y171 HydrophobicContact CG2-CE2 4.22Å; Y171-H173 HydrophobicContact CD1-CB 4.09Å; Y171-H173 HydrophobicContact CE1-CB 4.16Å; Y171-H173 PolarHBondContact O-N 2.68Å; Y171-H173 VanDerWaalsContact O-N 3.1Å; Y171-D176 PolarHBondContact OH-O 3Å
172	D	94.2	Very high	94.4	Very high	46 Å²	46	51.9 Å²	51.9	25%	0.246	29%	0.294	C	S	.	.			trans	-86.7	77.2	-179.4	-173.5	4.2	0	0	0	111.9	Q174 N175 D176 G177	D172-Q174 PolarHBondContact O-N 2.8Å; D172-Q174 PolarHBondContact OD1-N 2.83Å; D172-N175 PolarHBondContact O-N 2.85Å; D172-N175 PolarHBondContact OD1-N 2.88Å; D172-N175 PolarHBondContact OD1-ND2 3.08Å; D172-N175 WeakPolarHBondContact OD2-CB 3.48Å; D172-N175 PolarHBondContact OD2-ND2 2.68Å; D172-D176 PolarHBondContact O-N 3.03Å; D172-G177 PolarHBondContact O-N 3.18Å
173	H	90.1	Very high	94.3	Very high	43 Å²	43	52.4 Å²	52.4	20%	0.199	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.6	-16.1	179.5	-169.8	65.9	0	0	0	113.8	N151 Y171 N175	N151-H173 WeakPolarHBondContact CB-O 3.41Å; N151-H173 PolarHBondContact ND2-NE2 3.38Å; Y171-H173 HydrophobicContact CD1-CB 4.09Å; Y171-H173 HydrophobicContact CE1-CB 4.16Å; Y171-H173 PolarHBondContact O-N 2.68Å; Y171-H173 VanDerWaalsContact O-N 3.1Å; H173-N175 VanDerWaalsContact C-N 3.32Å
174	Q	91.1	Very high	94.3	Very high	134 Å²	134	56 Å²	56	63%	0.626	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-77	-23.8	177	-64.1	-60.7	-56.5	0	0	112.3	D172	D172-Q174 PolarHBondContact O-N 2.8Å; D172-Q174 PolarHBondContact OD1-N 2.83Å
175	N	93.5	Very high	94.3	Very high	66 Å²	66	55.6 Å²	55.6	35%	0.353	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-116.1	26.8	179.2	-60.7	-68.6	0	0	0	112.2	D172 H173 G177 T178	D172-N175 PolarHBondContact O-N 2.85Å; D172-N175 PolarHBondContact OD1-N 2.88Å; D172-N175 PolarHBondContact OD1-ND2 3.08Å; D172-N175 WeakPolarHBondContact OD2-CB 3.48Å; D172-N175 PolarHBondContact OD2-ND2 2.68Å; H173-N175 VanDerWaalsContact C-N 3.32Å; N175-G177 PolarHBondContact O-N 2.9Å; N175-T178 WeakPolarHBondContact O-CB 3.32Å; N175-T178 WeakPolarHBondContact O-CG2 3.45Å; N175-T178 PolarHBondContact O-N 3.45Å; N175-T178 PolarHBondContact O-OG1 2.9Å
176	D	91.8	Very high	94.3	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	25.4	-178.1	-58.4	-7.2	0	0	0	113.7	N151 N157 L161 Y171 D172 T178	N151-D176 WeakPolarHBondContact CB-OD1 3.28Å; N151-D176 PolarHBondContact N-OD1 3.42Å; N151-D176 PolarHBondContact OD1-OD1 3.12Å; N157-D176 PolarHBondContact ND2-OD2 2.98Å; N157-D176 PolarHBondContact OD1-OD2 3.49Å; L161-D176 VanDerWaalsContact CD2-O 3.22Å; L161-D176 WeakPolarHBondContact CD2-O 3.47Å; Y171-D176 PolarHBondContact OH-O 3Å; D172-D176 PolarHBondContact O-N 3.03Å; D176-T178 HydrophobicContact CB-CG2 4.35Å; D176-T178 PolarHBondContact O-N 3.18Å; D176-T178 VanDerWaalsContact O-N 3.13Å
177	G	92.1	Very high	94.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	15.9	-174.3	0	0	0	0	0	115.1	D172 N175 T179 Q180 A181	D172-G177 PolarHBondContact O-N 3.18Å; N175-G177 PolarHBondContact O-N 2.9Å; G177-T179 PolarHBondContact O-N 3.35Å; G177-Q180 CarbonylContact O-C 3.53Å; G177-Q180 WeakPolarHBondContact O-CA 3.44Å; G177-Q180 PolarHBondContact O-N 3.48Å; G177-A181 PolarHBondContact O-N 3.19Å
178	T	90	Very high	94.3	Very high	47 Å²	47	60.2 Å²	60.2	29%	0.288	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.4	-174.6	50.1	0	0	0	0	113.6	N175 D176 Q180	N175-T178 WeakPolarHBondContact O-CB 3.32Å; N175-T178 WeakPolarHBondContact O-CG2 3.45Å; N175-T178 PolarHBondContact O-N 3.45Å; N175-T178 PolarHBondContact O-OG1 2.9Å; D176-T178 HydrophobicContact CB-CG2 4.35Å; D176-T178 PolarHBondContact O-N 3.18Å; D176-T178 VanDerWaalsContact O-N 3.13Å; T178-Q180 VanDerWaalsContact C-N 3.28Å; T178-Q180 PolarHBondContact O-N 3.25Å
179	T	91.9	Very high	94.5	Very high	113 Å²	113	54 Å²	54	69%	0.693	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.6	176.6	57.6	0	0	0	0	113.5	G177	G177-T179 PolarHBondContact O-N 3.35Å
180	Q	95.2	Very high	94.7	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.192	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-9.4	-176.6	-59.9	174.4	-35.4	0	0	112.2	V163 V170 G177 T178 L182	V163-Q180 HydrophobicContact CG1-CB 4.06Å; V170-Q180 PolarHBondContact O-NE2 2.8Å; G177-Q180 CarbonylContact O-C 3.53Å; G177-Q180 WeakPolarHBondContact O-CA 3.44Å; G177-Q180 PolarHBondContact O-N 3.48Å; T178-Q180 VanDerWaalsContact C-N 3.28Å; T178-Q180 PolarHBondContact O-N 3.25Å; Q180-L182 PolarHBondContact O-N 3.18Å
181	A	96.1	Very high	94.8	Very high	31 Å²	31	50.1 Å²	50.1	26%	0.256	27%	0.27	S	S	.	.			trans	-68.3	125.5	-179	0	0	0	0	0	111.5	L161 G177	L161-A181 HydrophobicContact CD2-CB 4.29Å; G177-A181 PolarHBondContact O-N 3.19Å
182	L	97.6	Very high	94.7	Very high	95 Å²	95	51 Å²	51	50%	0.497	27%	0.274	S	S	.	.	S	Bend	trans	-84.8	-23.2	172.7	-61.2	174.8	0	0	0	111.9	V162 Q180 V228 M231	V162-L182 PolarHBondContact O-N 2.83Å; Q180-L182 PolarHBondContact O-N 3.18Å; L182-V228 HydrophobicContact CB-CG1 4.12Å; L182-V228 HydrophobicContact CB-CG2 3.92Å; L182-V228 HydrophobicContact CD1-CG1 4.43Å; L182-M231 HydrophobicContact CD1-CE 3.74Å
183	G	97.3	Very high	94.5	Very high	10 Å²	10	51.1 Å²	51.1	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	146.5	177	0	0	0	0	0	110.3	L161 V162 T226	L161-G183 WeakPolarHBondContact CA-O 3.49Å; V162-G183 PolarHBondContact N-O 3.44Å; G183-T226 VanDerWaalsContact CA-OG1 3.29Å; G183-T226 WeakPolarHBondContact CA-OG1 3.5Å
184	T	97.3	Very high	94.8	Very high	78 Å²	78	52.8 Å²	52.8	48%	0.479	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.7	179.8	-176.8	0	0	0	0	111.7	I160 T226	I160-T184 CarbonylContact O-C 3.53Å; I160-T184 WeakPolarHBondContact O-CA 3.45Å; I160-T184 PolarHBondContact O-OG1 2.87Å; T184-T226 PolarHBondContact N-OG1 3.45Å
185	C	97.6	Very high	95.1	Very high	13 Å²	13	47.3 Å²	47.3	9%	0.088	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.1	161.8	77.7	0	0	0	0	111	I160 R187 C225	I160-C185 PolarHBondContact N-O 3.35Å; I160-C185 PolarHBondContact O-N 3.28Å; C185-R187 VanDerWaalsContact SG-CG 3.6Å; C185-C225 HydrophobicContact CB-CB 3.91Å; C185-C225 WeakPolarHBondContact CB-O 3.39Å; C185-C225 WeakPolarHBondContact CB-SG 3.14Å; C185-C225 VanDerWaalsContact SG-CA 3.56Å; C185-C225 WeakPolarHBondContact SG-CB 3.23Å; C185-C225 CovalentContact SG-SG 2.02Å; C185-C225 PolarHBondContact SG-SG 3.38Å
186	L	97.1	Very high	95.3	Very high	99 Å²	99	44.3 Å²	44.3	52%	0.518	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115	174.6	-58.3	-175	0	0	0	109.5	N156 A159	N156-L186 HydrophobicContact CB-CD2 4.14Å; N156-L186 WeakPolarHBondContact O-CD2 3.36Å; A159-L186 HydrophobicContact CB-CD2 4.23Å
187	R	96.3	Very high	95.6	Very high	64 Å²	64	46 Å²	46	24%	0.242	25%	0.248	C	C	.	.			trans	-144.6	111.5	177.8	-70.7	-65.7	-179.8	-91.4	0.8	107.9	P158 I160 C185 F189 F224	P158-R187 CarbonylContact O-C 3.52Å; P158-R187 PolarHBondContact O-N 2.87Å; I160-R187 HydrophobicContact CD1-CB 3.81Å; I160-R187 HydrophobicContact CD1-CG 4.14Å; I160-R187 HydrophobicContact CG1-CB 4.39Å; C185-R187 VanDerWaalsContact SG-CG 3.6Å; R187-F189 WeakPolarHBondContact O-CD1 3.45Å; R187-F189 PolarHBondContact O-N 3.23Å; R187-F189 VanDerWaalsContact O-N 3.13Å; R187-F224 PolarHBondContact NH2-O 2.94Å; R187-F224 VanDerWaalsContact NH2-O 3.1Å
188	D	95.2	Very high	95.9	Very high	72 Å²	72	46 Å²	46	39%	0.385	25%	0.248	S	C	.	.			trans	-68.1	110	165.3	170.9	31.2	0	0	0	108.4	P158 R190 K192 N213	P158-D188 HydrophobicContact CG-CB 4.44Å; D188-R190 PolarHBondContact OD1-N 2.83Å; D188-R190 VanDerWaalsContact OD1-N 3.14Å; D188-K192 WeakPolarHBondContact O-CE 3.45Å; D188-K192 PolarHBondContact O-NZ 2.83Å; D188-K192 IonicContact OD2-NZ 3.98Å; D188-K192 PolarHBondContact OD2-NZ 3.15Å; D188-N213 PolarHBondContact O-OD1 2.87Å
189	F	96.8	Very high	96.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.			trans	-107.1	5.3	179.9	53.8	-104.5	0	0	0	112.7	F105 V107 F146 D147 P158 I160 R187 I196	F105-F189 HydrophobicContact CE2-CB 4.5Å; F105-F189 HydrophobicContact CE2-CD2 4.46Å; V107-F189 HydrophobicContact CB-CD2 4.1Å; V107-F189 HydrophobicContact CB-CE2 4.32Å; V107-F189 HydrophobicContact CG1-CE2 4.39Å; V107-F189 HydrophobicContact CG2-CD2 3.81Å; V107-F189 HydrophobicContact CG2-CE2 3.97Å; F146-F189 HydrophobicContact CB-CD1 4.31Å; F146-F189 HydrophobicContact CB-CE1 3.8Å; F146-F189 HydrophobicContact CB-CE2 4.16Å; F146-F189 HydrophobicContact CB-CZ 3.73Å; F146-F189 HydrophobicContact CD1-CD1 4.2Å; F146-F189 HydrophobicContact CD1-CE1 4.45Å; F146-F189 VanDerWaalsContact O-CZ 3.3Å; F146-F189 WeakPolarHBondContact O-CZ 3.2Å; D147-F189 WeakPolarHBondContact O-CZ 3.29Å; P158-F189 HydrophobicContact CB-CD1 3.9Å; P158-F189 HydrophobicContact CB-CE1 3.43Å; P158-F189 VanDerWaalsContact CB-CE1 3.43Å; P158-F189 HydrophobicContact CB-CE2 4.47Å; P158-F189 HydrophobicContact CB-CZ 3.75Å; I160-F189 HydrophobicContact CG1-CD1 4.26Å; I160-F189 HydrophobicContact CG1-CE1 4.45Å; R187-F189 WeakPolarHBondContact O-CD1 3.45Å; R187-F189 PolarHBondContact O-N 3.23Å; R187-F189 VanDerWaalsContact O-N 3.13Å; F189-I196 HydrophobicContact CB-CD1 4.24Å; F189-I196 HydrophobicContact CB-CG1 4.02Å; F189-I196 HydrophobicContact CB-CG2 4.48Å
190	R	97.2	Very high	96.7	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.038	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-88.8	149.5	-177.6	-60.8	178.3	71.7	-119.9	-3.7	111.1	V107 R112 M113 G114 P158 D188 K192 D250	V107-R190 HydrophobicContact CB-CG 4.46Å; V107-R190 HydrophobicContact CG1-CG 4.09Å; R112-R190 PolarHBondContact O-NH1 3.25Å; M113-R190 VanDerWaalsContact C-CZ 3.5Å; M113-R190 VanDerWaalsContact C-NH2 3.33Å; M113-R190 PolarHBondContact O-NH2 3.3Å; M113-R190 VanDerWaalsContact O-NH2 3.13Å; G114-R190 VanDerWaalsContact N-CZ 3.32Å; P158-R190 HydrophobicContact CG-CG 4.24Å; D188-R190 PolarHBondContact OD1-N 2.83Å; D188-R190 VanDerWaalsContact OD1-N 3.14Å; R190-K192 PolarHBondContact O-N 2.94Å; R190-K192 VanDerWaalsContact O-N 3.07Å; R190-D250 IonicContact CZ-OD1 3.79Å; R190-D250 IonicContact CZ-OD2 2.68Å; R190-D250 IonicContact NE-OD2 3.57Å; R190-D250 PolarHBondContact NE-OD2 2.9Å; R190-D250 VanDerWaalsContact NH2-CG 3.3Å; R190-D250 IonicContact NH2-OD1 3.92Å; R190-D250 PolarHBondContact NH2-OD1 3.42Å; R190-D250 IonicContact NH2-OD2 2.75Å; R190-D250 PolarHBondContact NH2-OD2 3.48Å
191	N	95.8	Very high	96.8	Very high	78 Å²	78	38.8 Å²	38.8	42%	0.417	21%	0.205	S	C	.	.	S	Bend	trans	50	39	168.6	-63.8	-34.6	0	0	0	113.8	V107 S108 G109	V107-N191 PolarHBondContact O-N 2.8Å; S108-N191 WeakPolarHBondContact CA-OD1 3.37Å; G109-N191 PolarHBondContact N-OD1 3.23Å; G109-N191 PolarHBondContact O-ND2 2.79Å; G109-N191 VanDerWaalsContact O-ND2 3.16Å; G109-N191 PolarHBondContact O-OD1 3.02Å
192	K	95.3	Very high	96.9	Very high	31 Å²	31	38.2 Å²	38.2	14%	0.135	20%	0.196	C	C	.	.			trans	-82.8	147.8	177.9	-63.3	-50.5	-169.9	-161.7	0	112.2	D188 R190 Y194 I196 N213 F215	D188-K192 WeakPolarHBondContact O-CE 3.45Å; D188-K192 PolarHBondContact O-NZ 2.83Å; D188-K192 IonicContact OD2-NZ 3.98Å; D188-K192 PolarHBondContact OD2-NZ 3.15Å; R190-K192 PolarHBondContact O-N 2.94Å; R190-K192 VanDerWaalsContact O-N 3.07Å; K192-Y194 WeakPolarHBondContact CB-O 3.46Å; K192-Y194 PolarHBondContact O-N 2.85Å; K192-I196 HydrophobicContact CB-CD1 4.05Å; K192-I196 HydrophobicContact CG-CD1 3.54Å; K192-I196 HydrophobicContact CG-CG1 4.33Å; K192-N213 WeakPolarHBondContact CG-O 3.35Å; K192-F215 HydrophobicContact CD-CE1 4.1Å; K192-F215 HydrophobicContact CD-CZ 4.08Å
193	P	90.1	Very high	96.9	Very high	47 Å²	47	35.7 Å²	35.7	31%	0.305	18%	0.18	S	C	.	.	S	Bend	trans	-64.7	-40.7	-179.1	22.6	-30.4	0	0	0	112.1	R106 G214 F215	R106-P193 PolarHBondContact NH2-O 2.88Å; P193-G214 VanDerWaalsContact CD-O 3.27Å; P193-G214 WeakPolarHBondContact CD-O 3.3Å; P193-G214 VanDerWaalsContact CG-O 3.3Å; P193-G214 WeakPolarHBondContact CG-O 3.06Å; P193-F215 HydrophobicContact CG-CD1 4.49Å
194	Y	95.3	Very high	96.9	Very high	78 Å²	78	40.1 Å²	40.1	31%	0.306	19%	0.194	S	C	.	.	S	Bend	trans	-105.5	153.8	174.6	-59.2	-81.4	0	0	0	111.1	K192 I196 G214 T216 P217	K192-Y194 WeakPolarHBondContact CB-O 3.46Å; K192-Y194 PolarHBondContact O-N 2.85Å; Y194-I196 PolarHBondContact O-N 2.86Å; Y194-G214 WeakPolarHBondContact CB-O 3.33Å; Y194-G214 PolarHBondContact N-O 2.97Å; Y194-G214 WeakPolarHBondContact O-CA 3.34Å; Y194-T216 WeakPolarHBondContact CB-O 3.34Å; Y194-T216 VanDerWaalsContact CD2-C 3.44Å; Y194-P217 HydrophobicContact CD1-CB 3.97Å; Y194-P217 HydrophobicContact CE1-CB 3.63Å; Y194-P217 HydrophobicContact CE1-CG 4.27Å
195	P	97.1	Very high	96.8	Very high	20 Å²	20	42.6 Å²	42.6	13%	0.13	20%	0.198	C	C	.	.			trans	-55.6	137.1	174.6	-22	32.3	0	0	0	112.1	T104 R106 L255	T104-P195 HydrophobicContact CG2-CB 3.5Å; T104-P195 HydrophobicContact CG2-CG 4.4Å; R106-P195 HydrophobicContact CG-CB 4.23Å; R106-P195 HydrophobicContact CG-CG 4.48Å; P195-L255 HydrophobicContact CB-CD2 4.15Å; P195-L255 HydrophobicContact CG-CD2 3.74Å
196	I	98.1	Very high	96.9	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	143.8	170.9	-60.1	-61.9	0	0	0	108.7	T104 F105 F189 K192 Y194 I211 N213	T104-I196 CarbonylContact C-O 3.58Å; T104-I196 VanDerWaalsContact CA-O 3.31Å; T104-I196 WeakPolarHBondContact CA-O 3.5Å; F105-I196 HydrophobicContact CD1-CG2 4.43Å; F105-I196 HydrophobicContact CD2-CB 4.11Å; F105-I196 HydrophobicContact CD2-CG2 4.48Å; F105-I196 HydrophobicContact CE1-CB 4.18Å; F105-I196 HydrophobicContact CE1-CG2 3.66Å; F105-I196 HydrophobicContact CE2-CB 3.76Å; F105-I196 HydrophobicContact CE2-CG1 4.21Å; F105-I196 HydrophobicContact CE2-CG2 3.74Å; F105-I196 HydrophobicContact CG-CB 4.49Å; F105-I196 HydrophobicContact CZ-CB 3.8Å; F105-I196 HydrophobicContact CZ-CG2 3.27Å; F105-I196 PolarHBondContact N-O 2.73Å; F105-I196 PolarHBondContact O-N 2.79Å; F189-I196 HydrophobicContact CB-CD1 4.24Å; F189-I196 HydrophobicContact CB-CG1 4.02Å; F189-I196 HydrophobicContact CB-CG2 4.48Å; K192-I196 HydrophobicContact CB-CD1 4.05Å; K192-I196 HydrophobicContact CG-CD1 3.54Å; K192-I196 HydrophobicContact CG-CG1 4.33Å; Y194-I196 PolarHBondContact O-N 2.86Å; I196-I211 HydrophobicContact CG2-CG2 4.28Å; I196-N213 WeakPolarHBondContact CD1-O 3.47Å
197	R	98.6	Very high	96.9	Very high	36 Å²	36	38.7 Å²	38.7	14%	0.136	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.7	171.4	-51.2	174.3	173.3	-76.8	-17.3	109.7	V103 T104 I211 N212 K219 Y222	V103-R197 CarbonylContact O-C 3.53Å; V103-R197 VanDerWaalsContact O-CA 3.32Å; V103-R197 WeakPolarHBondContact O-CA 3.48Å; T104-R197 HydrophobicContact CG2-CG 4.21Å; T104-R197 PolarHBondContact OG1-NH1 2.88Å; R197-I211 CarbonylContact O-C 3.56Å; R197-I211 WeakPolarHBondContact O-CA 3.39Å; R197-N212 HydrophobicContact CB-CB 3.9Å; R197-N212 HydrophobicContact CG-CB 4.34Å; R197-N212 PolarHBondContact N-O 3.28Å; R197-N212 PolarHBondContact O-N 3.39Å; R197-K219 WeakPolarHBondContact CD-O 3.48Å; R197-Y222 HydrophobicContact CB-CE1 3.82Å
198	A	98.7	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.6	169.4	0	0	0	0	0	109.4	E102 V103 F105 F146 I211	E102-A198 CarbonylContact C-O 3.58Å; E102-A198 WeakPolarHBondContact CA-O 3.13Å; V103-A198 PolarHBondContact N-O 3.23Å; V103-A198 PolarHBondContact O-N 3.2Å; F105-A198 HydrophobicContact CE1-CB 4.11Å; F146-A198 HydrophobicContact CE1-CB 4.11Å; F146-A198 HydrophobicContact CZ-CB 3.57Å; A198-I211 HydrophobicContact CB-CD1 3.69Å
199	K	98.8	Very high	97.2	Very high	30 Å²	30	33.8 Å²	33.8	13%	0.13	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	108.9	170.7	-176	161.6	66.8	-175.2	0	108.3	E100 A101 E102 L210 Y222	E100-K199 HydrophobicContact CG-CD 4.26Å; E100-K199 HydrophobicContact CG-CG 3.85Å; A101-K199 WeakPolarHBondContact O-CA 3.5Å; E102-K199 HydrophobicContact CG-CB 4.44Å; E102-K199 HydrophobicContact CG-CD 4.17Å; E102-K199 HydrophobicContact CG-CG 4.12Å; K199-L210 HydrophobicContact CB-CB 4.36Å; K199-L210 PolarHBondContact N-O 3.48Å; K199-L210 PolarHBondContact O-N 2.82Å; K199-Y222 HydrophobicContact CB-CD1 3.96Å; K199-Y222 HydrophobicContact CB-CE1 3.54Å; K199-Y222 HydrophobicContact CB-CE2 4.49Å; K199-Y222 HydrophobicContact CD-CE2 4.24Å
200	I	98.8	Very high	97.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.7	-177.1	-55.6	166.8	0	0	0	106.9	W99 E100 A101 V120 V144 L207 T208 V209	W99-I200 HydrophobicContact CH2-CG2 3.94Å; W99-I200 HydrophobicContact CZ3-CB 4.35Å; W99-I200 HydrophobicContact CZ3-CG2 3.89Å; W99-I200 WeakPolarHBondContact CZ3-O 3.49Å; E100-I200 CarbonylContact C-O 3.42Å; E100-I200 WeakPolarHBondContact CA-O 3.39Å; A101-I200 PolarHBondContact N-O 2.88Å; A101-I200 PolarHBondContact O-N 2.8Å; V120-I200 HydrophobicContact CB-CD1 3.9Å; V120-I200 HydrophobicContact CG1-CD1 3.71Å; V120-I200 HydrophobicContact CG2-CD1 4.3Å; V144-I200 HydrophobicContact CB-CD1 4.06Å; V144-I200 HydrophobicContact CG1-CD1 4.24Å; V144-I200 HydrophobicContact CG2-CD1 3.97Å; V144-I200 HydrophobicContact CG2-CG2 4.27Å; I200-L207 HydrophobicContact CG2-CD1 3.81Å; I200-L207 HydrophobicContact CG2-CG 4.42Å; I200-T208 WeakPolarHBondContact CA-O 3.32Å; I200-V209 HydrophobicContact CG1-CG1 4.46Å; I200-V209 HydrophobicContact CG1-CG2 4.48Å; I200-V209 HydrophobicContact CG2-CG2 4.49Å
201	T	98.8	Very high	97.4	Very high	19 Å²	19	35.3 Å²	35.3	12%	0.117	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.1	-174	-50	0	0	0	0	109.3	E100 L207 T208 L262	E100-T201 HydrophobicContact CB-CG2 4.34Å; E100-T201 PolarHBondContact OE2-OG1 2.79Å; T201-L207 CarbonylContact O-C 3.54Å; T201-L207 VanDerWaalsContact O-CA 3.31Å; T201-L207 WeakPolarHBondContact O-CA 3.09Å; T201-T208 PolarHBondContact N-O 2.85Å; T201-T208 PolarHBondContact O-N 2.84Å; T201-L262 HydrophobicContact CG2-CD1 3.69Å
202	Y	98.5	Very high	97.5	Very high	18 Å²	18	31.7 Å²	31.7	7%	0.071	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	105.8	166.9	-174	-103.3	0	0	0	108.9	N98 W99 T206 L207 M231 I233	N98-Y202 CarbonylContact C-O 3.54Å; N98-Y202 VanDerWaalsContact CA-O 3.27Å; N98-Y202 WeakPolarHBondContact CA-O 3.31Å; W99-Y202 HydrophobicContact CZ2-CG 4.28Å; W99-Y202 PolarHBondContact N-O 3.05Å; W99-Y202 AromaticContact NE1-CD1 3.87Å; W99-Y202 PolarHBondContact O-N 3.19Å; Y202-T206 WeakPolarHBondContact CA-O 3.49Å; Y202-L207 HydrophobicContact CD2-CB 4.34Å; Y202-L207 HydrophobicContact CD2-CD1 4.18Å; Y202-M231 HydrophobicContact CE2-CB 4.22Å; Y202-M231 WeakPolarHBondContact CE2-O 3.2Å; Y202-M231 PolarHBondContact OH-O 2.91Å; Y202-I233 HydrophobicContact CD1-CD1 3.62Å; Y202-I233 HydrophobicContact CD1-CG1 4.48Å; Y202-I233 HydrophobicContact CD2-CD1 3.91Å; Y202-I233 HydrophobicContact CE1-CD1 3.54Å; Y202-I233 HydrophobicContact CE1-CG1 3.9Å; Y202-I233 HydrophobicContact CE2-CD1 3.82Å; Y202-I233 HydrophobicContact CE2-CG1 4.12Å; Y202-I233 HydrophobicContact CE2-CG2 4.27Å; Y202-I233 HydrophobicContact CG-CD1 3.79Å
203	Y	97.6	Very high	97.4	Very high	42 Å²	42	31.6 Å²	31.6	17%	0.165	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.1	-177.5	-174.8	-107.1	0	0	0	109.5	P37 N98 K205 T206 L262 E264	P37-Y203 HydrophobicContact CB-CD2 4.35Å; P37-Y203 HydrophobicContact CB-CE2 3.63Å; P37-Y203 HydrophobicContact CG-CD2 4.37Å; P37-Y203 HydrophobicContact CG-CE2 4.02Å; N98-Y203 HydrophobicContact CB-CD2 3.81Å; N98-Y203 HydrophobicContact CB-CE2 4.43Å; N98-Y203 WeakPolarHBondContact OD1-CA 3.46Å; Y203-K205 VanDerWaalsContact C-N 3.32Å; Y203-K205 PolarHBondContact O-N 2.82Å; Y203-T206 PolarHBondContact N-O 2.87Å; Y203-T206 VanDerWaalsContact O-CB 3.29Å; Y203-T206 WeakPolarHBondContact O-CB 3.41Å; Y203-T206 PolarHBondContact O-N 2.86Å; Y203-L262 HydrophobicContact CD2-CB 4.16Å; Y203-L262 HydrophobicContact CD2-CD1 3.98Å; Y203-L262 HydrophobicContact CG-CD1 4.48Å; Y203-E264 HydrophobicContact CE2-CG 4.12Å
204	R	95.3	Very high	97.6	Very high	103 Å²	103	29.3 Å²	29.3	39%	0.389	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	50.8	-179.1	-66.1	-179.4	171.7	167.6	1.6	112.9	E34 N98 T206 E264	E34-R204 IonicContact OE1-CZ 2.74Å; E34-R204 IonicContact OE1-NH1 3.8Å; E34-R204 PolarHBondContact OE1-NH1 2.87Å; E34-R204 IonicContact OE1-NH2 2.72Å; N98-R204 PolarHBondContact OD1-N 2.97Å; R204-T206 PolarHBondContact O-N 2.83Å; R204-T206 VanDerWaalsContact O-N 3.13Å; R204-T206 PolarHBondContact O-OG1 2.88Å; R204-E264 VanDerWaalsContact CG-OE1 3.26Å; R204-E264 WeakPolarHBondContact CG-OE1 3.22Å; R204-E264 IonicContact CZ-OE1 3.63Å; R204-E264 IonicContact CZ-OE2 3.62Å; R204-E264 VanDerWaalsContact NE-CD 3.27Å; R204-E264 IonicContact NE-OE1 2.77Å; R204-E264 PolarHBondContact NE-OE1 3.32Å; R204-E264 IonicContact NE-OE2 3.26Å; R204-E264 PolarHBondContact NE-OE2 2.92Å; R204-E264 IonicContact NH2-OE1 2.63Å; R204-E264 IonicContact NH2-OE2 3.66Å; R204-E264 PolarHBondContact NH2-OE2 2.92Å
205	K	96.5	Very high	97.4	Very high	130 Å²	130	28.7 Å²	28.7	57%	0.565	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	20.4	-178.3	-52.7	-178.3	179.9	-179.5	0	114.8	Y203 N230 M231	Y203-K205 VanDerWaalsContact C-N 3.32Å; Y203-K205 PolarHBondContact O-N 2.82Å; K205-N230 CarbonylContact O-C 3.48Å; K205-N230 WeakPolarHBondContact O-CA 3.27Å; K205-N230 PolarHBondContact O-N 2.73Å; K205-N230 VanDerWaalsContact O-N 3.08Å; K205-M231 PolarHBondContact O-N 2.78Å
206	T	98.3	Very high	96.9	Very high	29 Å²	29	28.1 Å²	28.1	18%	0.178	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.8	177.4	-61.3	0	0	0	0	108.9	Y202 Y203 R204 K227 V228 E229	Y202-T206 WeakPolarHBondContact CA-O 3.49Å; Y203-T206 PolarHBondContact N-O 2.87Å; Y203-T206 VanDerWaalsContact O-CB 3.29Å; Y203-T206 WeakPolarHBondContact O-CB 3.41Å; Y203-T206 PolarHBondContact O-N 2.86Å; R204-T206 PolarHBondContact O-N 2.83Å; R204-T206 VanDerWaalsContact O-N 3.13Å; R204-T206 PolarHBondContact O-OG1 2.88Å; T206-K227 HydrophobicContact CG2-CD 4.13Å; T206-K227 HydrophobicContact CG2-CG 3.76Å; T206-V228 WeakPolarHBondContact CA-O 3.46Å; T206-E229 HydrophobicContact CG2-CG 4.25Å
207	L	98.7	Very high	96.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.7	171.3	-168.1	79	0	0	0	109.2	W99 I142 V162 I200 T201 Y202 K227 V228 M231	W99-L207 HydrophobicContact CH2-CD1 3.99Å; W99-L207 HydrophobicContact CZ2-CD1 4.39Å; I142-L207 HydrophobicContact CD1-CD1 3.7Å; I142-L207 HydrophobicContact CD1-CD2 4Å; V162-L207 HydrophobicContact CG1-CD2 3.53Å; V162-L207 HydrophobicContact CG2-CD2 4.19Å; I200-L207 HydrophobicContact CG2-CD1 3.81Å; I200-L207 HydrophobicContact CG2-CG 4.42Å; T201-L207 CarbonylContact O-C 3.54Å; T201-L207 VanDerWaalsContact O-CA 3.31Å; T201-L207 WeakPolarHBondContact O-CA 3.09Å; Y202-L207 HydrophobicContact CD2-CB 4.34Å; Y202-L207 HydrophobicContact CD2-CD1 4.18Å; L207-K227 CarbonylContact O-C 3.53Å; L207-K227 VanDerWaalsContact O-CA 3.29Å; L207-K227 WeakPolarHBondContact O-CA 3.45Å; L207-V228 HydrophobicContact CB-CB 4.44Å; L207-V228 PolarHBondContact N-O 3.07Å; L207-V228 PolarHBondContact O-N 3.44Å; L207-M231 HydrophobicContact CB-SD 3.62Å; L207-M231 HydrophobicContact CD2-CE 4.33Å; L207-M231 HydrophobicContact CD2-SD 3.78Å; L207-M231 HydrophobicContact CG-SD 4.21Å
208	T	98.8	Very high	95.9	Very high	33 Å²	33	34.7 Å²	34.7	20%	0.202	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.9	175.1	-54.7	0	0	0	0	109.3	I200 T201 L210 F224	I200-T208 WeakPolarHBondContact CA-O 3.32Å; T201-T208 PolarHBondContact N-O 2.85Å; T201-T208 PolarHBondContact O-N 2.84Å; T208-L210 HydrophobicContact CG2-CD2 3.97Å; T208-L210 HydrophobicContact CG2-CG 4.22Å; T208-F224 HydrophobicContact CG2-CD2 4.49Å; T208-F224 HydrophobicContact CG2-CE2 4.29Å
209	V	98.8	Very high	95.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.8	174.8	-176	0	0	0	0	108.5	V144 V162 I200 I211 C225 T226	V144-V209 HydrophobicContact CG1-CG1 4.48Å; V144-V209 HydrophobicContact CG1-CG2 4.29Å; V162-V209 HydrophobicContact CG2-CG2 3.86Å; I200-V209 HydrophobicContact CG1-CG1 4.46Å; I200-V209 HydrophobicContact CG1-CG2 4.48Å; I200-V209 HydrophobicContact CG2-CG2 4.49Å; V209-I211 HydrophobicContact CG1-CD1 3.9Å; V209-I211 HydrophobicContact CG1-CG1 4.31Å; V209-C225 HydrophobicContact CB-CB 4.36Å; V209-C225 HydrophobicContact CG1-CB 4.22Å; V209-C225 VanDerWaalsContact O-CB 3.31Å; V209-C225 WeakPolarHBondContact O-CB 3.24Å; V209-C225 PolarHBondContact O-N 3.49Å; V209-T226 HydrophobicContact CB-CG2 4.12Å; V209-T226 HydrophobicContact CG2-CG2 4.1Å; V209-T226 PolarHBondContact N-O 2.95Å; V209-T226 PolarHBondContact O-N 3.31Å
210	L	98.7	Very high	95.1	Very high	41 Å²	41	44.2 Å²	44.2	22%	0.215	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.2	172.6	-51.2	177.3	0	0	0	109.6	K199 T208 Y222 E223 F224	K199-L210 HydrophobicContact CB-CB 4.36Å; K199-L210 PolarHBondContact N-O 3.48Å; K199-L210 PolarHBondContact O-N 2.82Å; T208-L210 HydrophobicContact CG2-CD2 3.97Å; T208-L210 HydrophobicContact CG2-CG 4.22Å; L210-Y222 HydrophobicContact CB-CD1 4.03Å; L210-Y222 HydrophobicContact CB-CG 4.29Å; L210-E223 CarbonylContact C-O 3.56Å; L210-E223 VanDerWaalsContact CA-O 3.31Å; L210-E223 WeakPolarHBondContact CA-O 3.36Å; L210-F224 HydrophobicContact CD2-CB 4.19Å; L210-F224 HydrophobicContact CD2-CD2 3.93Å
211	I	98.4	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.1	-173.9	-57.6	-63.6	0	0	0	109.8	F146 I160 I196 R197 A198 V209 E223 C225	F146-I211 HydrophobicContact CE1-CD1 3.83Å; F146-I211 HydrophobicContact CZ-CD1 4.23Å; I160-I211 HydrophobicContact CD1-CD1 3.65Å; I160-I211 HydrophobicContact CD1-CG1 3.59Å; I160-I211 HydrophobicContact CD1-CG2 4.46Å; I196-I211 HydrophobicContact CG2-CG2 4.28Å; R197-I211 CarbonylContact O-C 3.56Å; R197-I211 WeakPolarHBondContact O-CA 3.39Å; A198-I211 HydrophobicContact CB-CD1 3.69Å; V209-I211 HydrophobicContact CG1-CD1 3.9Å; V209-I211 HydrophobicContact CG1-CG1 4.31Å; I211-E223 PolarHBondContact N-O 3.41Å; I211-E223 PolarHBondContact O-N 3.49Å; I211-C225 HydrophobicContact CG1-CB 3.85Å
212	N	97.8	Very high	94.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.6	158.3	-178.7	-37.5	0	0	0	107.7	R197 G214 D218 D221 Y222	R197-N212 HydrophobicContact CB-CB 3.9Å; R197-N212 HydrophobicContact CG-CB 4.34Å; R197-N212 PolarHBondContact N-O 3.28Å; R197-N212 PolarHBondContact O-N 3.39Å; N212-G214 PolarHBondContact O-N 3.45Å; N212-G214 PolarHBondContact OD1-N 3.36Å; N212-D218 PolarHBondContact ND2-O 3.11Å; N212-D221 WeakPolarHBondContact CA-O 3.3Å; N212-Y222 HydrophobicContact CB-CD1 4.19Å; N212-Y222 HydrophobicContact CB-CE1 4.25Å
213	N	94.4	Very high	94.7	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.15	23%	0.227	C	C	.	.			trans	-84	13.7	-170.3	-151.2	31.2	0	0	0	114.4	D188 K192 I196 F215	D188-N213 PolarHBondContact O-OD1 2.87Å; K192-N213 WeakPolarHBondContact CG-O 3.35Å; I196-N213 WeakPolarHBondContact CD1-O 3.47Å; N213-F215 VanDerWaalsContact C-N 3.33Å; N213-F215 HydrophobicContact CB-CD2 4.13Å; N213-F215 HydrophobicContact CB-CE2 4.32Å; N213-F215 WeakPolarHBondContact ND2-CE2 3.16Å; N213-F215 PolarHBondContact O-N 3.2Å
214	G	93.9	Very high	94.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	70.7	21.7	170.1	0	0	0	0	0	115.2	P193 Y194 N212	P193-G214 VanDerWaalsContact CD-O 3.27Å; P193-G214 WeakPolarHBondContact CD-O 3.3Å; P193-G214 VanDerWaalsContact CG-O 3.3Å; P193-G214 WeakPolarHBondContact CG-O 3.06Å; Y194-G214 WeakPolarHBondContact CB-O 3.33Å; Y194-G214 PolarHBondContact N-O 2.97Å; Y194-G214 WeakPolarHBondContact O-CA 3.34Å; N212-G214 PolarHBondContact O-N 3.45Å; N212-G214 PolarHBondContact OD1-N 3.36Å
215	F	90.9	Very high	94.9	Very high	64 Å²	64	46.2 Å²	46.2	28%	0.281	23%	0.228	S	C	.	.	S	Bend	trans	-91.7	-14	174.1	-69.5	-63.1	0	0	0	113.5	K192 P193 N213 F330	K192-F215 HydrophobicContact CD-CE1 4.1Å; K192-F215 HydrophobicContact CD-CZ 4.08Å; P193-F215 HydrophobicContact CG-CD1 4.49Å; N213-F215 VanDerWaalsContact C-N 3.33Å; N213-F215 HydrophobicContact CB-CD2 4.13Å; N213-F215 HydrophobicContact CB-CE2 4.32Å; N213-F215 WeakPolarHBondContact ND2-CE2 3.16Å; N213-F215 PolarHBondContact O-N 3.2Å; F215-F330 HydrophobicContact CD1-CD1 4.16Å; F215-F330 HydrophobicContact CD1-CE1 4.07Å; F215-F330 HydrophobicContact CE1-CD1 4.41Å; F215-F330 AromaticContact CE1-CE1 3.88Å; F215-F330 HydrophobicContact CE1-CE1 3.88Å
216	T	87.1	Confident	95	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.055	21%	0.205	C	C	.	.	S	Bend	trans	-127.2	151.6	-179.2	73.7	0	0	0	0	110.4	Y194 D218 N334	Y194-T216 WeakPolarHBondContact CB-O 3.34Å; Y194-T216 VanDerWaalsContact CD2-C 3.44Å; T216-D218 PolarHBondContact O-N 3.16Å; T216-N334 WeakPolarHBondContact CG2-OD1 3.38Å
217	P	84.1	Confident	95	Very high	85 Å²	85	43.9 Å²	43.9	55%	0.552	22%	0.216	S	C	*	.	S	Bend	trans	-74.4	-13.4	169.9	30.2	-33.5	0	0	0	112.5	Y194 K219	Y194-P217 HydrophobicContact CD1-CB 3.97Å; Y194-P217 HydrophobicContact CE1-CB 3.63Å; Y194-P217 HydrophobicContact CE1-CG 4.27Å; P217-K219 PolarHBondContact O-N 3.09Å
218	D	91.5	Very high	95	Very high	90 Å²	90	44.6 Å²	44.6	48%	0.481	22%	0.22	S	C	.	.			trans	-65.5	119.3	178.7	-177.6	2.8	0	0	0	109.7	N212 T216 E220 D221	N212-D218 PolarHBondContact ND2-O 3.11Å; T216-D218 PolarHBondContact O-N 3.16Å; D218-E220 VanDerWaalsContact C-N 3.26Å; D218-E220 PolarHBondContact O-N 3.3Å; D218-E220 PolarHBondContact OD1-N 2.78Å; D218-D221 HydrophobicContact CB-CB 4.32Å
219	K	89.4	Confident	94.9	Very high	120 Å²	120	48.4 Å²	48.4	52%	0.522	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.7	-176.7	-56.2	-174.4	-179.3	172.4	0	112.4	R197 P217 Y222	R197-K219 WeakPolarHBondContact CD-O 3.48Å; P217-K219 PolarHBondContact O-N 3.09Å; K219-Y222 WeakPolarHBondContact O-CE2 3.11Å
220	E	91.7	Very high	94.8	Very high	111 Å²	111	54.7 Å²	54.7	52%	0.519	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.4	-174.3	-61.1	-53.9	136.3	0	0	113.9	D218 Y222	D218-E220 VanDerWaalsContact C-N 3.26Å; D218-E220 PolarHBondContact O-N 3.3Å; D218-E220 PolarHBondContact OD1-N 2.78Å; E220-Y222 PolarHBondContact O-N 2.78Å
221	D	94.3	Very high	94.7	Very high	27 Å²	27	53.2 Å²	53.2	14%	0.144	26%	0.262	C	S	.	.			trans	-75.7	62.2	178.2	-169	28.1	0	0	0	112.5	N212 D218 K341	N212-D221 WeakPolarHBondContact CA-O 3.3Å; D218-D221 HydrophobicContact CB-CB 4.32Å; D221-K341 IonicContact OD1-NZ 2.69Å; D221-K341 PolarHBondContact OD1-NZ 3.14Å
222	Y	96.7	Very high	94.6	Very high	29 Å²	29	60.6 Å²	60.6	11%	0.114	30%	0.3	C	S	.	.			trans	-82.8	139.3	178	-73.2	-77	0	0	0	111.7	R197 K199 L210 N212 K219 E220	R197-Y222 HydrophobicContact CB-CE1 3.82Å; K199-Y222 HydrophobicContact CB-CD1 3.96Å; K199-Y222 HydrophobicContact CB-CE1 3.54Å; K199-Y222 HydrophobicContact CB-CE2 4.49Å; K199-Y222 HydrophobicContact CD-CE2 4.24Å; L210-Y222 HydrophobicContact CB-CD1 4.03Å; L210-Y222 HydrophobicContact CB-CG 4.29Å; N212-Y222 HydrophobicContact CB-CD1 4.19Å; N212-Y222 HydrophobicContact CB-CE1 4.25Å; K219-Y222 WeakPolarHBondContact O-CE2 3.11Å; E220-Y222 PolarHBondContact O-N 2.78Å
223	E	96.7	Very high	94.5	Very high	44 Å²	44	61.6 Å²	61.6	21%	0.206	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	146.6	171.5	-62.4	-175.4	166.9	0	0	110.3	L210 I211 C225 H337 K341	L210-E223 CarbonylContact C-O 3.56Å; L210-E223 VanDerWaalsContact CA-O 3.31Å; L210-E223 WeakPolarHBondContact CA-O 3.36Å; I211-E223 PolarHBondContact N-O 3.41Å; I211-E223 PolarHBondContact O-N 3.49Å; E223-C225 PolarHBondContact O-N 2.85Å; E223-H337 IonicContact OE1-CE1 2.85Å; E223-H337 IonicContact OE1-NE2 3.1Å; E223-H337 PolarHBondContact OE1-NE2 2.96Å; E223-H337 VanDerWaalsContact OE1-NE2 3.11Å; E223-K341 IonicContact OE1-NZ 3.94Å
224	F	98.1	Very high	94.7	Very high	117 Å²	117	61.4 Å²	61.4	51%	0.513	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.4	176.6	180	-99.7	0	0	0	111.4	R187 T208 L210 T226 K227	R187-F224 PolarHBondContact NH2-O 2.94Å; R187-F224 VanDerWaalsContact NH2-O 3.1Å; T208-F224 HydrophobicContact CG2-CD2 4.49Å; T208-F224 HydrophobicContact CG2-CE2 4.29Å; L210-F224 HydrophobicContact CD2-CB 4.19Å; L210-F224 HydrophobicContact CD2-CD2 3.93Å; F224-T226 VanDerWaalsContact CZ-C 3.5Å; F224-K227 HydrophobicContact CE2-CB 3.86Å; F224-K227 HydrophobicContact CZ-CB 3.81Å
225	C	98.3	Very high	94.7	Very high	9 Å²	9	66.8 Å²	66.8	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-67	170.8	171.5	0	0	0	0	110.3	C185 V209 I211 E223	C185-C225 HydrophobicContact CB-CB 3.91Å; C185-C225 WeakPolarHBondContact CB-O 3.39Å; C185-C225 WeakPolarHBondContact CB-SG 3.14Å; C185-C225 VanDerWaalsContact SG-CA 3.56Å; C185-C225 WeakPolarHBondContact SG-CB 3.23Å; C185-C225 CovalentContact SG-SG 2.02Å; C185-C225 PolarHBondContact SG-SG 3.38Å; V209-C225 HydrophobicContact CB-CB 4.36Å; V209-C225 HydrophobicContact CG1-CB 4.22Å; V209-C225 VanDerWaalsContact O-CB 3.31Å; V209-C225 WeakPolarHBondContact O-CB 3.24Å; V209-C225 PolarHBondContact O-N 3.49Å; I211-C225 HydrophobicContact CG1-CB 3.85Å; E223-C225 PolarHBondContact O-N 2.85Å
226	T	98.4	Very high	95	Very high	13 Å²	13	67.7 Å²	67.7	8%	0.08	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	162.8	-177.1	-161.2	0	0	0	0	112.8	V162 G183 T184 V209 F224	V162-T226 HydrophobicContact CG2-CG2 3.61Å; G183-T226 VanDerWaalsContact CA-OG1 3.29Å; G183-T226 WeakPolarHBondContact CA-OG1 3.5Å; T184-T226 PolarHBondContact N-OG1 3.45Å; V209-T226 HydrophobicContact CB-CG2 4.12Å; V209-T226 HydrophobicContact CG2-CG2 4.1Å; V209-T226 PolarHBondContact N-O 2.95Å; V209-T226 PolarHBondContact O-N 3.31Å; F224-T226 VanDerWaalsContact CZ-C 3.5Å
227	K	98.1	Very high	95.5	Very high	96 Å²	96	67.3 Å²	67.3	42%	0.417	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133.7	179.9	-173.1	-173.5	-176.3	-162.7	0	109.7	T206 L207 F224 E229	T206-K227 HydrophobicContact CG2-CD 4.13Å; T206-K227 HydrophobicContact CG2-CG 3.76Å; L207-K227 CarbonylContact O-C 3.53Å; L207-K227 VanDerWaalsContact O-CA 3.29Å; L207-K227 WeakPolarHBondContact O-CA 3.45Å; F224-K227 HydrophobicContact CE2-CB 3.86Å; F224-K227 HydrophobicContact CZ-CB 3.81Å; K227-E229 HydrophobicContact CD-CG 4.31Å; K227-E229 WeakPolarHBondContact CE-OE1 3.41Å; K227-E229 HydrophobicContact CG-CG 4.44Å; K227-E229 IonicContact NZ-OE1 3.73Å; K227-E229 PolarHBondContact NZ-OE1 2.98Å
228	V	98.3	Very high	96.2	Very high	17 Å²	17	64.5 Å²	64.5	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.3	175	-174.1	0	0	0	0	108.3	V162 L182 T206 L207 M231	V162-V228 HydrophobicContact CB-CG2 4.4Å; V162-V228 HydrophobicContact CG1-CG2 4.11Å; L182-V228 HydrophobicContact CB-CG1 4.12Å; L182-V228 HydrophobicContact CB-CG2 3.92Å; L182-V228 HydrophobicContact CD1-CG1 4.43Å; T206-V228 WeakPolarHBondContact CA-O 3.46Å; L207-V228 HydrophobicContact CB-CB 4.44Å; L207-V228 PolarHBondContact N-O 3.07Å; L207-V228 PolarHBondContact O-N 3.44Å; V228-M231 HydrophobicContact CG1-CB 4.2Å; V228-M231 HydrophobicContact CG1-CG 4.46Å; V228-M231 HydrophobicContact CG1-SD 4.46Å
229	E	97.8	Very high	96.5	Very high	114 Å²	114	60.3 Å²	60.3	53%	0.533	30%	0.297	S	S	.	.	S	Bend	trans	-88.8	156.4	178.9	-62.8	-176.1	168.7	0	0	111.3	T206 K227 M231	T206-E229 HydrophobicContact CG2-CG 4.25Å; K227-E229 HydrophobicContact CD-CG 4.31Å; K227-E229 WeakPolarHBondContact CE-OE1 3.41Å; K227-E229 HydrophobicContact CG-CG 4.44Å; K227-E229 IonicContact NZ-OE1 3.73Å; K227-E229 PolarHBondContact NZ-OE1 2.98Å; E229-M231 PolarHBondContact O-N 3.3Å
230	N	97	Very high	97	Very high	131 Å²	131	54.6 Å²	54.6	70%	0.701	27%	0.272	S	S	*	.	S	Bend	trans	55.5	31.4	179	-54.2	-59.1	0	0	0	113.7	K205 I232	K205-N230 CarbonylContact O-C 3.48Å; K205-N230 WeakPolarHBondContact O-CA 3.27Å; K205-N230 PolarHBondContact O-N 2.73Å; K205-N230 VanDerWaalsContact O-N 3.08Å; N230-I232 PolarHBondContact O-N 2.82Å
231	M	96.3	Very high	97.3	Very high	11 Å²	11	49.3 Å²	49.3	5%	0.054	25%	0.248	C	C	.	.			trans	-76.3	125.4	-179.4	-169.6	178.8	-149.2	0	0	110.4	I142 V162 L182 Y202 K205 L207 V228 E229 I233	I142-M231 HydrophobicContact CB-CE 4.07Å; I142-M231 HydrophobicContact CG2-CE 3.17Å; I142-M231 HydrophobicContact CG2-SD 3.86Å; V162-M231 HydrophobicContact CG1-CE 4.03Å; L182-M231 HydrophobicContact CD1-CE 3.74Å; Y202-M231 HydrophobicContact CE2-CB 4.22Å; Y202-M231 WeakPolarHBondContact CE2-O 3.2Å; Y202-M231 PolarHBondContact OH-O 2.91Å; K205-M231 PolarHBondContact O-N 2.78Å; L207-M231 HydrophobicContact CB-SD 3.62Å; L207-M231 HydrophobicContact CD2-CE 4.33Å; L207-M231 HydrophobicContact CD2-SD 3.78Å; L207-M231 HydrophobicContact CG-SD 4.21Å; V228-M231 HydrophobicContact CG1-CB 4.2Å; V228-M231 HydrophobicContact CG1-CG 4.46Å; V228-M231 HydrophobicContact CG1-SD 4.46Å; E229-M231 PolarHBondContact O-N 3.3Å; M231-I233 HydrophobicContact CG-CG2 4.03Å; M231-I233 HydrophobicContact SD-CG2 4.22Å
232	I	96.3	Very high	97.5	Very high	155 Å²	155	48 Å²	48	80%	0.795	24%	0.241	S	C	*	.			trans	-101.2	121.3	177	-58.3	172.5	0	0	0	107.9	N230	N230-I232 PolarHBondContact O-N 2.82Å
233	I	96.3	Very high	97.6	Very high	23 Å²	23	46.6 Å²	46.6	12%	0.118	24%	0.235	C	C	.	.			trans	-123.9	160.1	176.4	67.4	179.7	0	0	0	109.1	W99 F122 I142 Y202 M231	W99-I233 HydrophobicContact CZ2-CD1 4.25Å; F122-I233 HydrophobicContact CD1-CB 4.46Å; F122-I233 HydrophobicContact CD1-CD1 3.88Å; F122-I233 HydrophobicContact CD1-CG1 4.48Å; F122-I233 HydrophobicContact CE1-CB 4.38Å; F122-I233 HydrophobicContact CE1-CD1 3.75Å; F122-I233 HydrophobicContact CE1-CG1 4.12Å; I142-I233 HydrophobicContact CG2-CG2 3.39Å; Y202-I233 HydrophobicContact CD1-CD1 3.62Å; Y202-I233 HydrophobicContact CD1-CG1 4.48Å; Y202-I233 HydrophobicContact CD2-CD1 3.91Å; Y202-I233 HydrophobicContact CE1-CD1 3.54Å; Y202-I233 HydrophobicContact CE1-CG1 3.9Å; Y202-I233 HydrophobicContact CE2-CD1 3.82Å; Y202-I233 HydrophobicContact CE2-CG1 4.12Å; Y202-I233 HydrophobicContact CE2-CG2 4.27Å; Y202-I233 HydrophobicContact CG-CD1 3.79Å; M231-I233 HydrophobicContact CG-CG2 4.03Å; M231-I233 HydrophobicContact SD-CG2 4.22Å
234	P	96.9	Very high	97.7	Very high	24 Å²	24	44.7 Å²	44.7	16%	0.156	23%	0.227	C	C	.	.			trans	-53.7	144.4	172.3	-25.7	35	0	0	0	111.9	F122 N140 E236	F122-P234 WeakPolarHBondContact CE1-O 3.32Å; N140-P234 WeakPolarHBondContact O-CG 3.31Å; P234-E236 VanDerWaalsContact C-N 3.28Å; P234-E236 WeakPolarHBondContact CB-O 3.35Å; P234-E236 PolarHBondContact O-N 2.81Å
235	T	94.9	Very high	97.7	Very high	113 Å²	113	39.4 Å²	39.4	69%	0.693	21%	0.205	S	C	*	.	S	Bend	trans	-66.4	-33.7	178.2	49.9	0	0	0	0	112.3	N95	N95-T235 PolarHBondContact OD1-O 2.83Å; N95-T235 VanDerWaalsContact OD1-O 3.12Å
236	E	96.9	Very high	97.3	Very high	84 Å²	84	39.9 Å²	39.9	39%	0.393	21%	0.21	S	C	.	.	S	Bend	trans	-124.3	145	173.9	54.7	163.4	-141.6	0	0	111	K93 V94 N95 P234	K93-E236 HydrophobicContact CB-CB 4.44Å; K93-E236 HydrophobicContact CD-CB 4.32Å; K93-E236 HydrophobicContact CD-CG 4.18Å; K93-E236 WeakPolarHBondContact CD-OE1 3.2Å; K93-E236 IonicContact NZ-OE1 3.5Å; K93-E236 PolarHBondContact NZ-OE1 3.02Å; V94-E236 CarbonylContact O-C 3.52Å; V94-E236 WeakPolarHBondContact O-CA 3.44Å; N95-E236 HydrophobicContact CB-CB 4.35Å; P234-E236 VanDerWaalsContact C-N 3.28Å; P234-E236 WeakPolarHBondContact CB-O 3.35Å; P234-E236 PolarHBondContact O-N 2.81Å
237	G	97.8	Very high	96.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-170.7	170.4	-179.3	0	0	0	0	0	113.2	K93 V94 T123	K93-G237 CarbonylContact C-O 3.53Å; K93-G237 WeakPolarHBondContact CA-O 3.42Å; V94-G237 PolarHBondContact N-O 2.93Å; V94-G237 PolarHBondContact O-N 2.76Å; T123-G237 CarbonylContact O-C 2.98Å; T123-G237 WeakPolarHBondContact O-CA 3.38Å
238	F	98.7	Very high	96.7	Very high	26 Å²	26	40.8 Å²	40.8	11%	0.114	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.5	174.3	-60.6	-85	0	0	0	109.6	W89 T90 K93 F122 T123 S124 Q126	W89-F238 HydrophobicContact CE3-CB 3.99Å; W89-F238 HydrophobicContact CZ3-CB 4.36Å; T90-F238 VanDerWaalsContact O-CD1 3.27Å; T90-F238 WeakPolarHBondContact O-CD1 3.41Å; T90-F238 WeakPolarHBondContact OG1-CA 3.29Å; K93-F238 HydrophobicContact CD-CE2 4.15Å; K93-F238 HydrophobicContact CD-CZ 4.26Å; K93-F238 HydrophobicContact CG-CD1 4.21Å; K93-F238 HydrophobicContact CG-CD2 4.02Å; K93-F238 HydrophobicContact CG-CE1 3.75Å; K93-F238 HydrophobicContact CG-CE2 3.52Å; K93-F238 HydrophobicContact CG-CG 4.35Å; K93-F238 HydrophobicContact CG-CZ 3.39Å; F122-F238 WeakPolarHBondContact CA-O 3.46Å; T123-F238 PolarHBondContact N-O 3.08Å; T123-F238 PolarHBondContact O-N 2.91Å; S124-F238 WeakPolarHBondContact O-CE2 3.46Å; Q126-F238 HydrophobicContact CG-CB 4.12Å; Q126-F238 HydrophobicContact CG-CD1 3.76Å; Q126-F238 HydrophobicContact CG-CD2 3.81Å; Q126-F238 HydrophobicContact CG-CE1 4.02Å; Q126-F238 HydrophobicContact CG-CE2 4.08Å; Q126-F238 HydrophobicContact CG-CG 3.62Å; Q126-F238 HydrophobicContact CG-CZ 4.16Å
239	F	98.8	Very high	96.5	Very high	2 Å²	2	41 Å²	41	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.7	159.7	-75.5	-80.7	0	0	0	110.3	W62 W89 T90 V94 W99 A101 W121 F122 F257 L259	W62-F239 HydrophobicContact CH2-CB 4.21Å; W89-F239 WeakPolarHBondContact CA-O 3.42Å; T90-F239 HydrophobicContact CG2-CB 3.93Å; T90-F239 PolarHBondContact N-O 3.23Å; T90-F239 PolarHBondContact OG1-N 3.44Å; T90-F239 PolarHBondContact OG1-O 3.33Å; V94-F239 HydrophobicContact CB-CD2 4.27Å; V94-F239 HydrophobicContact CB-CE2 4.04Å; V94-F239 HydrophobicContact CG1-CE2 4.07Å; V94-F239 HydrophobicContact CG2-CD2 3.68Å; V94-F239 HydrophobicContact CG2-CE2 3.84Å; W99-F239 HydrophobicContact CD2-CE1 4.23Å; W99-F239 AromaticContact CD2-CZ 3.66Å; W99-F239 HydrophobicContact CD2-CZ 3.66Å; W99-F239 AromaticContact CE2-CZ 3.86Å; W99-F239 AromaticContact CE3-CE1 3.98Å; W99-F239 HydrophobicContact CE3-CE1 3.98Å; W99-F239 AromaticContact CE3-CZ 3.79Å; W99-F239 HydrophobicContact CE3-CZ 3.79Å; W99-F239 HydrophobicContact CG-CZ 4.1Å; W99-F239 HydrophobicContact CH2-CE1 4.01Å; W99-F239 HydrophobicContact CH2-CZ 4.37Å; W99-F239 HydrophobicContact CZ2-CE1 4.22Å; W99-F239 HydrophobicContact CZ2-CZ 4.22Å; W99-F239 AromaticContact CZ3-CE1 3.88Å; W99-F239 HydrophobicContact CZ3-CE1 3.88Å; W99-F239 HydrophobicContact CZ3-CZ 4.16Å; A101-F239 HydrophobicContact CB-CE1 4.43Å; W121-F239 WeakPolarHBondContact O-CA 3.05Å; W121-F239 WeakPolarHBondContact O-CD1 3.31Å; F122-F239 HydrophobicContact CB-CD1 4.17Å; F122-F239 HydrophobicContact CB-CE1 3.91Å; F122-F239 HydrophobicContact CB-CZ 4.44Å; F122-F239 HydrophobicContact CD2-CD1 4.17Å; F122-F239 HydrophobicContact CD2-CD2 4.05Å; F122-F239 AromaticContact CD2-CE1 3.8Å; F122-F239 HydrophobicContact CD2-CE1 3.8Å; F122-F239 AromaticContact CD2-CE2 3.64Å; F122-F239 HydrophobicContact CD2-CE2 3.64Å; F122-F239 HydrophobicContact CD2-CG 4.3Å; F122-F239 AromaticContact CD2-CZ 3.51Å; F122-F239 HydrophobicContact CD2-CZ 3.51Å; F122-F239 AromaticContact CE2-CE2 3.99Å; F122-F239 HydrophobicContact CE2-CE2 3.99Å; F122-F239 HydrophobicContact CE2-CZ 4.15Å; F122-F239 HydrophobicContact CG-CE1 4.25Å; F122-F239 HydrophobicContact CG-CZ 4.28Å; F239-F257 HydrophobicContact CB-CE1 4.16Å; F239-F257 HydrophobicContact CB-CZ 3.81Å; F239-F257 HydrophobicContact CD1-CE1 4.24Å; F239-F257 AromaticContact CD1-CZ 3.66Å; F239-F257 HydrophobicContact CD1-CZ 3.66Å; F239-F257 HydrophobicContact CG-CE1 4.21Å; F239-F257 AromaticContact CG-CZ 3.93Å; F239-F257 HydrophobicContact CG-CZ 3.93Å; F239-L259 HydrophobicContact CD2-CD1 4.16Å; F239-L259 HydrophobicContact CD2-CD2 3.81Å; F239-L259 HydrophobicContact CE1-CD1 4.09Å; F239-L259 HydrophobicContact CE2-CD1 3.55Å; F239-L259 HydrophobicContact CE2-CD2 3.52Å; F239-L259 HydrophobicContact CE2-CG 4.22Å; F239-L259 HydrophobicContact CZ-CD1 3.49Å; F239-L259 VanDerWaalsContact CZ-CD1 3.49Å; F239-L259 HydrophobicContact CZ-CD2 4.33Å
240	G	98.5	Very high	96.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.2	177	0	0	0	0	0	112.4	V88 W89 W121	V88-G240 CarbonylContact O-C 3.51Å; V88-G240 VanDerWaalsContact O-CA 3.27Å; V88-G240 WeakPolarHBondContact O-CA 3.02Å; W89-G240 VanDerWaalsContact CE3-CA 3.42Å; W121-G240 PolarHBondContact N-O 2.69Å; W121-G240 PolarHBondContact O-N 2.92Å; W121-G240 VanDerWaalsContact O-N 3.12Å
241	I	98.7	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.3	166	-174.7	153.6	0	0	0	108.7	I77 S87 V88 V103 L118 A119 V120 V254	I77-I241 HydrophobicContact CD1-CG2 4.07Å; S87-I241 CarbonylContact C-O 3.58Å; S87-I241 VanDerWaalsContact CA-O 3.3Å; S87-I241 WeakPolarHBondContact CA-O 3.48Å; V88-I241 HydrophobicContact CB-CG2 3.98Å; V88-I241 PolarHBondContact N-O 2.9Å; V88-I241 PolarHBondContact O-N 2.88Å; V103-I241 HydrophobicContact CG1-CD1 3.73Å; L118-I241 HydrophobicContact CD1-CD1 4.31Å; A119-I241 CarbonylContact O-C 3.51Å; A119-I241 VanDerWaalsContact O-CA 3.28Å; A119-I241 WeakPolarHBondContact O-CA 3.31Å; V120-I241 HydrophobicContact CG2-CD1 4.1Å; I241-V254 HydrophobicContact CD1-CB 4.35Å; I241-V254 HydrophobicContact CD1-CG1 4.01Å; I241-V254 HydrophobicContact CD1-CG2 3.37Å; I241-V254 HydrophobicContact CG1-CG2 4.03Å; I241-V254 HydrophobicContact CG2-CG2 4.46Å
242	S	98.8	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.7	179	69.3	0	0	0	0	110.8	G86 L118 A119 W121 Y133 A135	G86-S242 VanDerWaalsContact O-CA 3.27Å; G86-S242 WeakPolarHBondContact O-CA 3.17Å; G86-S242 WeakPolarHBondContact O-CB 3.16Å; L118-S242 CarbonylContact C-O 3.56Å; L118-S242 VanDerWaalsContact CA-O 3.23Å; L118-S242 WeakPolarHBondContact CA-O 3.42Å; L118-S242 WeakPolarHBondContact CB-O 3.39Å; A119-S242 PolarHBondContact N-O 2.77Å; A119-S242 PolarHBondContact O-N 2.81Å; W121-S242 PolarHBondContact NE1-OG 2.81Å; Y133-S242 CarbonylContact O-C 3.36Å; Y133-S242 WeakPolarHBondContact O-CB 3.29Å; Y133-S242 PolarHBondContact O-OG 2.92Å; A135-S242 WeakPolarHBondContact CB-OG 3.39Å
243	A	98.7	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.7	172.5	0	0	0	0	0	110.5	I77 T78 G86 G117 L118 Y133 H252	I77-A243 HydrophobicContact CB-CB 3.9Å; I77-A243 HydrophobicContact CG2-CB 3.61Å; I77-A243 VanDerWaalsContact CG2-N 3.27Å; T78-A243 HydrophobicContact CG2-CB 4.08Å; T78-A243 WeakPolarHBondContact CG2-O 3.42Å; G86-A243 PolarHBondContact N-O 2.79Å; G86-A243 VanDerWaalsContact N-O 3.07Å; G86-A243 PolarHBondContact O-N 3.5Å; G117-A243 WeakPolarHBondContact O-CA 3.47Å; G117-A243 WeakPolarHBondContact O-CB 3.44Å; L118-A243 HydrophobicContact CB-CB 3.88Å; Y133-A243 CarbonylContact O-C 3.5Å; Y133-A243 WeakPolarHBondContact O-CA 3.47Å; Y133-A243 PolarHBondContact O-N 3.04Å; A243-H252 HydrophobicContact CB-CB 3.57Å
244	A	98	Very high	96.9	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.2	173.5	0	0	0	0	0	111.8	Q84 R85 D116 G117 H252	Q84-A244 CarbonylContact O-C 3.58Å; Q84-A244 VanDerWaalsContact O-CA 3.22Å; Q84-A244 WeakPolarHBondContact O-CA 3.49Å; R85-A244 HydrophobicContact CG-CB 4.19Å; D116-A244 PolarHBondContact N-O 2.84Å; G117-A244 PolarHBondContact O-N 3.19Å; A244-H252 PolarHBondContact O-CE1 3.27Å
245	T	97.4	Very high	96.9	Very high	6 Å²	6	22.9 Å²	22.9	4%	0.037	14%	0.143	C	C	.	.			trans	-126.8	139.7	169.6	63.1	0	0	0	0	110.3	L81 S83 Q84 A249	L81-T245 WeakPolarHBondContact O-CB 3.09Å; L81-T245 PolarHBondContact O-OG1 2.79Å; S83-T245 WeakPolarHBondContact CA-O 3.45Å; S83-T245 PolarHBondContact N-O 2.8Å; S83-T245 VanDerWaalsContact N-O 3.15Å; S83-T245 PolarHBondContact N-OG1 3.49Å; Q84-T245 WeakPolarHBondContact CB-OG1 3.41Å; Q84-T245 PolarHBondContact N-O 3.33Å; Q84-T245 PolarHBondContact N-OG1 2.81Å; Q84-T245 PolarHBondContact O-N 3.1Å; T245-A249 HydrophobicContact CG2-CB 3.92Å
246	G	91.8	Very high	97.1	Very high	18 Å²	18	18 Å²	18	19%	0.186	11%	0.114	C	C	.	.			trans	-98.5	-125.8	174.1	0	0	0	0	0	112.6	K82 S83 D116 L248	K82-G246 WeakPolarHBondContact CA-O 3.2Å; S83-G246 PolarHBondContact N-O 2.97Å; S83-G246 VanDerWaalsContact N-O 3.13Å; D116-G246 WeakPolarHBondContact OD1-CA 3.43Å; D116-G246 PolarHBondContact OD1-N 2.87Å; D116-G246 PolarHBondContact OD2-N 2.83Å; G246-L248 CarbonylContact C-O 3.45Å; G246-L248 PolarHBondContact N-O 2.72Å
247	G	89.5	Confident	97.1	Very high	55 Å²	55	14 Å²	14	57%	0.567	10%	0.095	S	C	*	.	S	Bend	trans	-76.8	-34	176.4	0	0	0	0	0	113.4	K82	K82-G247 WeakPolarHBondContact CE-O 3.32Å
248	L	92.8	Very high	97.2	Very high	74 Å²	74	15.3 Å²	15.3	39%	0.387	10%	0.102	S	C	.	.	S	Bend	trans	-91.2	157.8	161.3	-62	178	0	0	0	108.6	M113 A115 F149 G246	M113-L248 HydrophobicContact CB-CD1 3.93Å; A115-L248 HydrophobicContact CB-CB 3.7Å; F149-L248 HydrophobicContact CD2-CD1 4.01Å; F149-L248 HydrophobicContact CE2-CD1 3.71Å; G246-L248 CarbonylContact C-O 3.45Å; G246-L248 PolarHBondContact N-O 2.72Å
249	A	94.9	Very high	97.1	Very high	22 Å²	22	14 Å²	14	18%	0.182	10%	0.096	C	C	.	.			trans	-149.5	126.4	-174.4	0	0	0	0	0	111.7	L81 T245	L81-A249 WeakPolarHBondContact O-CB 3.3Å; T245-A249 HydrophobicContact CG2-CB 3.92Å
250	D	97.9	Very high	97.1	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.011	10%	0.102	C	C	.	.			trans	-109.8	154.7	169.5	-71.9	-6.4	0	0	0	110.6	P79 V107 S108 G109 G114 A115 R190 H252	P79-D250 CarbonylContact C-O 3.59Å; V107-D250 HydrophobicContact CG1-CB 3.88Å; S108-D250 CarbonylContact O-C 3.58Å; S108-D250 WeakPolarHBondContact O-CA 3.18Å; S108-D250 WeakPolarHBondContact O-CB 3.48Å; G109-D250 WeakPolarHBondContact CA-OD1 3.38Å; G114-D250 WeakPolarHBondContact CA-OD1 3.31Å; G114-D250 WeakPolarHBondContact CA-OD2 3.49Å; A115-D250 PolarHBondContact O-N 3.41Å; R190-D250 IonicContact CZ-OD1 3.79Å; R190-D250 IonicContact CZ-OD2 2.68Å; R190-D250 IonicContact NE-OD2 3.57Å; R190-D250 PolarHBondContact NE-OD2 2.9Å; R190-D250 VanDerWaalsContact NH2-CG 3.3Å; R190-D250 IonicContact NH2-OD1 3.92Å; R190-D250 PolarHBondContact NH2-OD1 3.42Å; R190-D250 IonicContact NH2-OD2 2.75Å; R190-D250 PolarHBondContact NH2-OD2 3.48Å; D250-H252 PolarHBondContact O-ND1 2.98Å
251	D	98.3	Very high	96.9	Very high	26 Å²	26	18.5 Å²	18.5	14%	0.139	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.8	162.5	-68.7	-61.8	0	0	0	108.6	R76 T78 P79 S80 V107 S108	R76-D251 IonicContact CZ-OD1 3.52Å; R76-D251 IonicContact NE-OD1 3.83Å; R76-D251 IonicContact NH1-OD1 2.91Å; R76-D251 PolarHBondContact NH1-OD1 3.22Å; T78-D251 WeakPolarHBondContact O-CA 3.35Å; P79-D251 WeakPolarHBondContact CA-OD1 3.27Å; S80-D251 WeakPolarHBondContact CB-OD2 3.15Å; S80-D251 PolarHBondContact N-OD1 3.5Å; S80-D251 VanDerWaalsContact OG-CG 3.31Å; S80-D251 PolarHBondContact OG-OD1 3Å; S80-D251 PolarHBondContact OG-OD2 2.89Å; V107-D251 WeakPolarHBondContact CA-O 3.22Å; S108-D251 PolarHBondContact N-O 2.8Å; S108-D251 PolarHBondContact O-N 2.86Å
252	H	98.8	Very high	96.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	98.1	176.2	-61	98.4	0	0	0	109.1	I77 T78 G117 A243 A244 D250	I77-H252 HydrophobicContact CB-CB 4.48Å; I77-H252 PolarHBondContact N-O 2.74Å; T78-H252 PolarHBondContact O-N 2.02Å; T78-H252 PolarHBondContact OG1-ND1 3.45Å; G117-H252 WeakPolarHBondContact CA-NE2 3.29Å; G117-H252 PolarHBondContact O-NE2 2.91Å; A243-H252 HydrophobicContact CB-CB 3.57Å; A244-H252 PolarHBondContact O-CE1 3.27Å; D250-H252 PolarHBondContact O-ND1 2.98Å
253	D	98.4	Very high	96.4	Very high	9 Å²	9	19.3 Å²	19.3	5%	0.048	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.5	-173.3	-69.5	-30.1	0	0	0	110.9	Q74 R76 F105 R106	Q74-D253 PolarHBondContact NE2-OD1 2.83Å; Q74-D253 PolarHBondContact NE2-OD2 3.42Å; R76-D253 VanDerWaalsContact CA-OD1 3.3Å; R76-D253 WeakPolarHBondContact CA-OD1 3.35Å; R76-D253 WeakPolarHBondContact CB-OD1 3.26Å; R76-D253 VanDerWaalsContact CG-OD1 3.29Å; R76-D253 WeakPolarHBondContact CG-OD1 3.39Å; R76-D253 IonicContact CZ-OD1 3.33Å; R76-D253 IonicContact CZ-OD2 2.74Å; R76-D253 IonicContact NE-OD1 3.71Å; R76-D253 PolarHBondContact NE-OD1 3.4Å; R76-D253 IonicContact NE-OD2 3.86Å; R76-D253 IonicContact NH2-OD1 2.81Å; R76-D253 PolarHBondContact NH2-OD1 3.29Å; R76-D253 IonicContact NH2-OD2 3.49Å; R76-D253 PolarHBondContact NH2-OD2 2.74Å; F105-D253 CarbonylContact C-O 3.47Å; F105-D253 WeakPolarHBondContact CA-O 3.18Å; F105-D253 VanDerWaalsContact CB-O 3.24Å; F105-D253 WeakPolarHBondContact CB-O 3.22Å; R106-D253 HydrophobicContact CB-CB 4.4Å; R106-D253 PolarHBondContact N-O 3.02Å; R106-D253 PolarHBondContact O-N 3.29Å
254	V	98.6	Very high	96	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.7	178	-174.5	0	0	0	0	109.1	F47 Q74 V75 I77 V103 F105 I241	F47-V254 HydrophobicContact CE2-CB 4.47Å; F47-V254 HydrophobicContact CE2-CG1 3.84Å; F47-V254 HydrophobicContact CZ-CB 4.39Å; F47-V254 HydrophobicContact CZ-CG1 3.71Å; Q74-V254 CarbonylContact C-O 3.59Å; Q74-V254 WeakPolarHBondContact CA-O 3.36Å; V75-V254 PolarHBondContact N-O 3.34Å; V75-V254 PolarHBondContact O-N 2.84Å; I77-V254 HydrophobicContact CD1-CG2 4.01Å; I77-V254 HydrophobicContact CG1-CG2 3.58Å; V103-V254 HydrophobicContact CG1-CG1 4.2Å; F105-V254 HydrophobicContact CB-CG2 4.4Å; I241-V254 HydrophobicContact CD1-CB 4.35Å; I241-V254 HydrophobicContact CD1-CG1 4.01Å; I241-V254 HydrophobicContact CD1-CG2 3.37Å; I241-V254 HydrophobicContact CG1-CG2 4.03Å; I241-V254 HydrophobicContact CG2-CG2 4.46Å
255	L	97.4	Very high	95.4	Very high	39 Å²	39	23.6 Å²	23.6	20%	0.204	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-35.5	-176.4	-71.7	73.3	0	0	0	111.2	Q74 T104 R106 P195	Q74-L255 HydrophobicContact CB-CG 4.31Å; T104-L255 HydrophobicContact CG2-CB 4.15Å; T104-L255 HydrophobicContact CG2-CD2 4.45Å; T104-L255 PolarHBondContact O-N 2.78Å; R106-L255 HydrophobicContact CB-CD1 4.5Å; R106-L255 HydrophobicContact CG-CD1 4.11Å; P195-L255 HydrophobicContact CB-CD2 4.15Å; P195-L255 HydrophobicContact CG-CD2 3.74Å
256	S	97.9	Very high	94.5	Very high	12 Å²	12	27.5 Å²	27.5	8%	0.084	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	148.1	176.1	66.9	0	0	0	0	112.7	F47 V103 T104	F47-S256 CarbonylContact O-C 3.52Å; F47-S256 VanDerWaalsContact O-CA 3.25Å; F47-S256 WeakPolarHBondContact O-CA 3.37Å; F47-S256 WeakPolarHBondContact O-CB 3.42Å; V103-S256 WeakPolarHBondContact CA-O 3.48Å; T104-S256 VanDerWaalsContact CB-OG 3.32Å; T104-S256 WeakPolarHBondContact CB-OG 3.38Å; T104-S256 PolarHBondContact N-O 2.9Å; T104-S256 PolarHBondContact O-N 3.41Å; T104-S256 PolarHBondContact OG1-OG 3.44Å
257	F	98.6	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.5	164.5	-167.4	-66.2	0	0	0	107.3	S46 F47 W62 A101 V103 V120 F239	S46-F257 CarbonylContact C-O 3.44Å; S46-F257 WeakPolarHBondContact CA-O 3.39Å; S46-F257 WeakPolarHBondContact CB-O 2.94Å; F47-F257 HydrophobicContact CD1-CB 3.87Å; F47-F257 HydrophobicContact CD2-CB 4.48Å; F47-F257 HydrophobicContact CE1-CB 3.52Å; F47-F257 HydrophobicContact CE1-CG 4.4Å; F47-F257 HydrophobicContact CE2-CB 4.2Å; F47-F257 HydrophobicContact CG-CB 4.34Å; F47-F257 HydrophobicContact CZ-CB 3.72Å; F47-F257 PolarHBondContact N-O 3.21Å; F47-F257 PolarHBondContact O-N 2.76Å; F47-F257 VanDerWaalsContact O-O 3.11Å; W62-F257 HydrophobicContact CH2-CB 4.16Å; W62-F257 AromaticContact CH2-CD1 3.62Å; W62-F257 HydrophobicContact CH2-CD1 3.62Å; W62-F257 AromaticContact CH2-CD2 3.79Å; W62-F257 HydrophobicContact CH2-CD2 3.79Å; W62-F257 AromaticContact CH2-CE1 3.93Å; W62-F257 HydrophobicContact CH2-CE1 3.93Å; W62-F257 HydrophobicContact CH2-CE2 4.06Å; W62-F257 AromaticContact CH2-CG 3.57Å; W62-F257 HydrophobicContact CH2-CG 3.57Å; W62-F257 HydrophobicContact CH2-CZ 4.15Å; W62-F257 HydrophobicContact CZ2-CB 4.14Å; W62-F257 AromaticContact CZ2-CD1 3.71Å; W62-F257 HydrophobicContact CZ2-CD1 3.71Å; W62-F257 HydrophobicContact CZ2-CE1 4.28Å; W62-F257 AromaticContact CZ2-CG 3.87Å; W62-F257 HydrophobicContact CZ2-CG 3.87Å; A101-F257 HydrophobicContact CB-CE1 4.1Å; A101-F257 HydrophobicContact CB-CZ 4.03Å; V103-F257 HydrophobicContact CG1-CD2 4.44Å; V103-F257 HydrophobicContact CG2-CD2 3.74Å; V103-F257 HydrophobicContact CG2-CE2 3.75Å; V103-F257 HydrophobicContact CG2-CG 4.36Å; V103-F257 HydrophobicContact CG2-CZ 4.34Å; V120-F257 HydrophobicContact CG1-CE2 4.03Å; V120-F257 HydrophobicContact CG1-CZ 4.49Å; F239-F257 HydrophobicContact CB-CE1 4.16Å; F239-F257 HydrophobicContact CB-CZ 3.81Å; F239-F257 HydrophobicContact CD1-CE1 4.24Å; F239-F257 AromaticContact CD1-CZ 3.66Å; F239-F257 HydrophobicContact CD1-CZ 3.66Å; F239-F257 HydrophobicContact CG-CE1 4.21Å; F239-F257 AromaticContact CG-CZ 3.93Å; F239-F257 HydrophobicContact CG-CZ 3.93Å
258	L	98.2	Very high	92.4	Very high	26 Å²	26	37.3 Å²	37.3	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.5	-178.6	-52.6	179.3	0	0	0	109.4	F41 K48 A101 E102 F260	F41-L258 HydrophobicContact CE2-CB 4.16Å; F41-L258 HydrophobicContact CE2-CD2 3.96Å; F41-L258 HydrophobicContact CZ-CD2 4.34Å; K48-L258 HydrophobicContact CB-CD2 4.21Å; K48-L258 HydrophobicContact CD-CD2 4.13Å; K48-L258 HydrophobicContact CG-CD2 4.4Å; A101-L258 CarbonylContact C-O 3.55Å; A101-L258 WeakPolarHBondContact CA-O 3.41Å; E102-L258 HydrophobicContact CB-CB 4.3Å; E102-L258 PolarHBondContact N-O 3.48Å; E102-L258 PolarHBondContact O-N 3.25Å; L258-F260 HydrophobicContact CB-CE2 3.75Å; L258-F260 HydrophobicContact CB-CZ 4.24Å
259	L	98.3	Very high	90.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.9	177.3	-170.3	69.5	0	0	0	110.8	E42 Y45 S46 V94 F96 W99 A101 F239	E42-L259 PolarHBondContact N-O 2.91Å; Y45-L259 VanDerWaalsContact CB-CD2 3.43Å; Y45-L259 HydrophobicContact CD2-CD2 3.9Å; Y45-L259 HydrophobicContact CG-CD2 3.9Å; S46-L259 PolarHBondContact OG-N 3.33Å; V94-L259 HydrophobicContact CG1-CD2 4.33Å; V94-L259 HydrophobicContact CG2-CD2 4Å; F96-L259 HydrophobicContact CD2-CD2 4.15Å; F96-L259 HydrophobicContact CE2-CD2 3.69Å; F96-L259 HydrophobicContact CE2-CG 4.41Å; W99-L259 HydrophobicContact CB-CD1 4.33Å; W99-L259 HydrophobicContact CE3-CD1 4.45Å; A101-L259 HydrophobicContact CB-CD1 4.16Å; F239-L259 HydrophobicContact CD2-CD1 4.16Å; F239-L259 HydrophobicContact CD2-CD2 3.81Å; F239-L259 HydrophobicContact CE1-CD1 4.09Å; F239-L259 HydrophobicContact CE2-CD1 3.55Å; F239-L259 HydrophobicContact CE2-CD2 3.52Å; F239-L259 HydrophobicContact CE2-CG 4.22Å; F239-L259 HydrophobicContact CZ-CD1 3.49Å; F239-L259 VanDerWaalsContact CZ-CD1 3.49Å; F239-L259 HydrophobicContact CZ-CD2 4.33Å
260	F	97.3	Very high	89.2	Confident	29 Å²	29	37.8 Å²	37.8	13%	0.127	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.9	174.2	-57.3	-95	0	0	0	110.1	R40 F41 W99 E100 E102 L258	R40-F260 CarbonylContact O-C 3.53Å; R40-F260 WeakPolarHBondContact O-CA 3.5Å; F41-F260 HydrophobicContact CB-CD1 3.98Å; F41-F260 HydrophobicContact CB-CE1 3.86Å; F41-F260 HydrophobicContact CD2-CD1 4.2Å; F41-F260 AromaticContact CD2-CE1 3.74Å; F41-F260 HydrophobicContact CD2-CE1 3.74Å; F41-F260 AromaticContact CD2-CZ 3.94Å; F41-F260 HydrophobicContact CD2-CZ 3.94Å; F41-F260 HydrophobicContact CG-CE1 4.25Å; W99-F260 CarbonylContact C-O 3.35Å; W99-F260 VanDerWaalsContact CA-O 3.27Å; W99-F260 WeakPolarHBondContact CA-O 3.5Å; E100-F260 HydrophobicContact CB-CB 4.38Å; E100-F260 PolarHBondContact N-O 3.13Å; E100-F260 PolarHBondContact O-N 2.67Å; E102-F260 HydrophobicContact CB-CE2 4.5Å; E102-F260 HydrophobicContact CG-CE2 4.2Å; L258-F260 HydrophobicContact CB-CE2 3.75Å; L258-F260 HydrophobicContact CB-CZ 4.24Å
261	R	95.3	Very high	87.2	Confident	67 Å²	67	41 Å²	41	25%	0.253	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	134	166	-179.5	178	176.7	178.2	0.5	109	R40 E42 F96 E275	R40-R261 HydrophobicContact CB-CB 4.49Å; R40-R261 PolarHBondContact N-O 2.87Å; R40-R261 PolarHBondContact O-N 2.79Å; E42-R261 HydrophobicContact CG-CB 4.01Å; F96-R261 HydrophobicContact CD1-CG 4.18Å; F96-R261 HydrophobicContact CD2-CB 4.21Å; F96-R261 HydrophobicContact CD2-CG 4.5Å; F96-R261 HydrophobicContact CE2-CB 4.25Å; F96-R261 HydrophobicContact CG-CB 4.39Å; F96-R261 HydrophobicContact CG-CG 4.19Å; F96-R261 HydrophobicContact CZ-CB 4.44Å; R261-E275 IonicContact NH1-OE1 3.43Å
262	L	94.9	Very high	85.1	Confident	7 Å²	7	45 Å²	45	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.7	176.9	-57.3	-177.9	0	0	0	109.9	P37 H38 R39 N98 E100 T201 Y203	P37-L262 HydrophobicContact CB-CB 4.37Å; H38-L262 WeakPolarHBondContact O-CA 3.36Å; R39-L262 HydrophobicContact CB-CD2 4.32Å; R39-L262 HydrophobicContact CG-CD2 3.62Å; N98-L262 HydrophobicContact CB-CB 3.78Å; N98-L262 PolarHBondContact O-N 2.99Å; E100-L262 HydrophobicContact CB-CD1 4.16Å; E100-L262 HydrophobicContact CB-CD2 4.2Å; E100-L262 HydrophobicContact CB-CG 4.28Å; T201-L262 HydrophobicContact CG2-CD1 3.69Å; Y203-L262 HydrophobicContact CD2-CB 4.16Å; Y203-L262 HydrophobicContact CD2-CD1 3.98Å; Y203-L262 HydrophobicContact CG-CD1 4.48Å
263	T	92.2	Very high	82.8	Confident	10 Å²	10	51 Å²	51	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.7	174.8	-53.4	0	0	0	0	109	P37 H38 Q267	P37-T263 CarbonylContact C-O 3.58Å; P37-T263 WeakPolarHBondContact CA-O 3.3Å; P37-T263 WeakPolarHBondContact CB-O 3.49Å; H38-T263 PolarHBondContact N-O 2.98Å; H38-T263 PolarHBondContact O-N 3.21Å; T263-Q267 HydrophobicContact CG2-CB 3.8Å
264	E	90.3	Very high	80.7	Confident	46 Å²	46	54.3 Å²	54.3	22%	0.215	32%	0.319	C	S	.	.			trans	-65.7	145.3	-179	-56	-158	170.9	0	0	111.2	Y203 R204 G266 Q267	Y203-E264 HydrophobicContact CE2-CG 4.12Å; R204-E264 VanDerWaalsContact CG-OE1 3.26Å; R204-E264 WeakPolarHBondContact CG-OE1 3.22Å; R204-E264 IonicContact CZ-OE1 3.63Å; R204-E264 IonicContact CZ-OE2 3.62Å; R204-E264 VanDerWaalsContact NE-CD 3.27Å; R204-E264 IonicContact NE-OE1 2.77Å; R204-E264 PolarHBondContact NE-OE1 3.32Å; R204-E264 IonicContact NE-OE2 3.26Å; R204-E264 PolarHBondContact NE-OE2 2.92Å; R204-E264 IonicContact NH2-OE1 2.63Å; R204-E264 IonicContact NH2-OE2 3.66Å; R204-E264 PolarHBondContact NH2-OE2 2.92Å; E264-G266 PolarHBondContact O-N 3.38Å; E264-Q267 HydrophobicContact CB-CG 4.33Å; E264-Q267 PolarHBondContact O-N 3.38Å; E264-Q267 VanDerWaalsContact O-N 3.1Å
265	P	85.4	Confident	78.5	Confident	48 Å²	48	58.2 Å²	58.2	31%	0.312	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	131.9	173.8	-20	29.7	0	0	0	111.1	E35 Q267	E35-P265 HydrophobicContact CB-CB 3.98Å; E35-P265 HydrophobicContact CB-CG 3.99Å; E35-P265 WeakPolarHBondContact O-CG 3.37Å; P265-Q267 VanDerWaalsContact C-N 3.35Å
266	G	77.2	Confident	76.6	Confident	87 Å²	87	58.4 Å²	58.4	90%	0.897	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-11.7	-178.2	0	0	0	0	0	115.4	E264	E264-G266 PolarHBondContact O-N 3.38Å
267	Q	74.9	Confident	75.1	Confident	96 Å²	96	60.9 Å²	60.9	45%	0.449	35%	0.354	S	S	.	.	S	Bend	trans	-81.8	131	163	-67.7	-177	-5.9	0	0	108.9	T263 E264 P265 P269	T263-Q267 HydrophobicContact CG2-CB 3.8Å; E264-Q267 HydrophobicContact CB-CG 4.33Å; E264-Q267 PolarHBondContact O-N 3.38Å; E264-Q267 VanDerWaalsContact O-N 3.1Å; P265-Q267 VanDerWaalsContact C-N 3.35Å; Q267-P269 WeakPolarHBondContact O-CD 3.37Å
268	Q	63.2	Low	73.8	Confident	184 Å²	184	69 Å²	69	86%	0.86	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-64	124.1	175	-78.7	-179.4	-16.8	0	0	108.8
269	P	61	Low	72.5	Confident	69 Å²	69	75.4 Å²	75.4	45%	0.448	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-57.9	140	170.6	24	-31.1	0	0	0	108.1	Q267 S271	Q267-P269 WeakPolarHBondContact O-CD 3.37Å; P269-S271 PolarHBondContact O-N 3.33Å
270	P	59.2	Low	71.2	Confident	37 Å²	37	78.4 Å²	78.4	24%	0.24	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-54.1	136.4	176	20.6	-30.2	0	0	0	109.2	V272	P270-V272 PolarHBondContact O-N 2.9Å
271	S	55.7	Low	69.7	Low	70 Å²	70	79.7 Å²	79.7	49%	0.49	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-57.7	136.3	-173.3	70.5	0	0	0	0	110.9	P269 D273 S274	P269-S271 PolarHBondContact O-N 3.33Å; S271-D273 PolarHBondContact O-N 2.93Å; S271-S274 PolarHBondContact N-OG 3.38Å; S271-S274 PolarHBondContact O-N 2.72Å; S271-S274 PolarHBondContact O-OG 2.86Å; S271-S274 VanDerWaalsContact OG-CB 3.23Å; S271-S274 WeakPolarHBondContact OG-CB 3.48Å; S271-S274 PolarHBondContact OG-N 3.5Å; S271-S274 PolarHBondContact OG-OG 3.39Å
272	V	54.3	Low	68.9	Low	109 Å²	109	81.4 Å²	81.4	66%	0.661	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.1	179.7	-175.9	0	0	0	0	112	P270 K281	P270-V272 PolarHBondContact O-N 2.9Å; V272-K281 PolarHBondContact O-NZ 2.99Å
273	D	50.6	Low	68.1	Low	127 Å²	127	86.8 Å²	86.8	68%	0.679	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.2	179.2	-67.8	-31.9	0	0	0	114.6	S271 K281	S271-D273 PolarHBondContact O-N 2.93Å; D273-K281 IonicContact OD1-NZ 2.79Å; D273-K281 PolarHBondContact OD1-NZ 3.06Å
274	S	54.2	Low	67	Low	77 Å²	77	90.5 Å²	90.5	54%	0.538	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.7	-177.6	46.8	0	0	0	0	115.1	S271	S271-S274 PolarHBondContact N-OG 3.38Å; S271-S274 PolarHBondContact O-N 2.72Å; S271-S274 PolarHBondContact O-OG 2.86Å; S271-S274 VanDerWaalsContact OG-CB 3.23Å; S271-S274 WeakPolarHBondContact OG-CB 3.48Å; S271-S274 PolarHBondContact OG-N 3.5Å; S271-S274 PolarHBondContact OG-OG 3.39Å
275	E	53.3	Low	66.1	Low	83 Å²	83	94 Å²	94	39%	0.388	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-22.9	-172	-72.6	179.2	179.8	0	0	116.1	R40 R261	R40-E275 IonicContact CZ-OE2 3.71Å; R40-E275 IonicContact NH1-OE2 2.88Å; R40-E275 PolarHBondContact NH1-OE2 2.9Å; R40-E275 IonicContact NH2-OE2 3.58Å; R40-E275 PolarHBondContact NH2-OE2 3.09Å; R261-E275 IonicContact NH1-OE1 3.43Å
276	I	56.5	Low	65.9	Low	42 Å²	42	97.4 Å²	97.4	22%	0.215	52%	0.516	C	S	.	.	S	Bend	trans	-103.9	110.2	171.5	-50.2	175.6	0	0	0	107	K278 E280 K281	I276-K278 PolarHBondContact O-N 3.25Å; I276-E280 HydrophobicContact CG2-CB 3.72Å; I276-K281 HydrophobicContact CB-CG 3.96Å; I276-K281 HydrophobicContact CG2-CG 3.53Å
277	P	67.3	Low	65.7	Low	65 Å²	65	97.7 Å²	97.7	42%	0.422	49%	0.494	S	S	.	.			trans	-49.8	138.8	173.5	-25	33.6	0	0	0	110	E279 E280 K281	P277-E279 PolarHBondContact O-N 2.95Å; P277-E279 VanDerWaalsContact O-N 3.08Å; P277-E280 PolarHBondContact O-N 3.49Å; P277-K281 PolarHBondContact O-N 3.13Å; P277-K281 VanDerWaalsContact O-N 3.16Å
278	K	70.2	Confident	65.4	Low	170 Å²	170	99.6 Å²	99.6	74%	0.739	50%	0.502	S	S	*	.	H	α-helix	trans	-50.7	-38.2	179.8	-79.3	-176.8	174.7	-179	0	112.1	I276 E280 K281 D282	I276-K278 PolarHBondContact O-N 3.25Å; K278-E280 PolarHBondContact O-N 3.22Å; K278-K281 WeakPolarHBondContact O-CB 3.22Å; K278-K281 PolarHBondContact O-N 2.88Å; K278-D282 VanDerWaalsContact O-CG 3.24Å; K278-D282 PolarHBondContact O-N 2.88Å
279	E	71.9	Confident	66	Low	160 Å²	160	95.8 Å²	95.8	75%	0.748	48%	0.484	S	S	*	.	H	α-helix	trans	-59.1	-40	176.2	-66.5	150.3	-177.7	0	0	113.3	P277 K283	P277-E279 PolarHBondContact O-N 2.95Å; P277-E279 VanDerWaalsContact O-N 3.08Å; E279-K283 WeakPolarHBondContact O-CB 3.42Å; E279-K283 PolarHBondContact O-N 3.3Å
280	E	71.1	Confident	67	Low	64 Å²	64	96.6 Å²	96.6	30%	0.299	48%	0.484	S	S	.	.	H	α-helix	trans	-69.4	-42.6	174.3	-93.3	-173.3	178.3	0	0	111.1	I276 P277 K278 D282 K283 Y284	I276-E280 HydrophobicContact CG2-CB 3.72Å; P277-E280 PolarHBondContact O-N 3.49Å; K278-E280 PolarHBondContact O-N 3.22Å; E280-D282 VanDerWaalsContact C-N 3.35Å; E280-D282 PolarHBondContact O-N 3.5Å; E280-K283 PolarHBondContact O-N 3.26Å; E280-Y284 HydrophobicContact CB-CD2 4.37Å; E280-Y284 HydrophobicContact CB-CE2 3.95Å; E280-Y284 HydrophobicContact CG-CE2 4.32Å; E280-Y284 WeakPolarHBondContact O-CD2 3.41Å; E280-Y284 PolarHBondContact O-N 3.38Å
281	K	66.1	Low	67.4	Low	55 Å²	55	101 Å²	101	24%	0.239	50%	0.5	C	S	.	.	H	α-helix	trans	-58.6	-47.9	176.6	-71.8	-168.9	-177.5	179.7	0	111.1	V272 D273 I276 P277 K278 K283 Y284 Q285	V272-K281 PolarHBondContact O-NZ 2.99Å; D273-K281 IonicContact OD1-NZ 2.79Å; D273-K281 PolarHBondContact OD1-NZ 3.06Å; I276-K281 HydrophobicContact CB-CG 3.96Å; I276-K281 HydrophobicContact CG2-CG 3.53Å; P277-K281 PolarHBondContact O-N 3.13Å; P277-K281 VanDerWaalsContact O-N 3.16Å; K278-K281 WeakPolarHBondContact O-CB 3.22Å; K278-K281 PolarHBondContact O-N 2.88Å; K281-K283 PolarHBondContact O-N 2.77Å; K281-Y284 PolarHBondContact O-N 3.41Å; K281-Q285 WeakPolarHBondContact O-CB 3.47Å; K281-Q285 PolarHBondContact O-N 2.95Å
282	D	77.8	Confident	67.8	Low	103 Å²	103	101.5 Å²	101.5	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-63.1	-43.5	-179	-66.6	-21	0	0	0	110.8	K278 E280 Q285 E286	K278-D282 VanDerWaalsContact O-CG 3.24Å; K278-D282 PolarHBondContact O-N 2.88Å; E280-D282 VanDerWaalsContact C-N 3.35Å; E280-D282 PolarHBondContact O-N 3.5Å; D282-Q285 PolarHBondContact O-N 3.01Å; D282-E286 PolarHBondContact O-N 3Å
283	K	77.4	Confident	69.2	Low	120 Å²	120	102.4 Å²	102.4	52%	0.522	49%	0.491	S	S	.	.	H	α-helix	trans	-61	-46.6	175.7	-172.4	-176.3	177.4	-165.7	0	112.5	E279 E280 K281 Q285 E286 E287	E279-K283 WeakPolarHBondContact O-CB 3.42Å; E279-K283 PolarHBondContact O-N 3.3Å; E280-K283 PolarHBondContact O-N 3.26Å; K281-K283 PolarHBondContact O-N 2.77Å; K283-Q285 VanDerWaalsContact C-N 3.27Å; K283-Q285 PolarHBondContact O-N 2.92Å; K283-E286 PolarHBondContact O-N 3.19Å; K283-E287 VanDerWaalsContact CE-OE1 3.23Å; K283-E287 WeakPolarHBondContact CE-OE1 3.15Å; K283-E287 IonicContact NZ-OE1 3.88Å; K283-E287 WeakPolarHBondContact O-CG 3.44Å; K283-E287 PolarHBondContact O-N 3.43Å
284	Y	70	Confident	70.6	Confident	88 Å²	88	100.9 Å²	100.9	35%	0.345	48%	0.48	S	S	.	.	H	α-helix	trans	-64	-35.1	177.6	-68.8	-50.3	0	0	0	112.1	Y43 E280 K281 F288	Y43-Y284 PolarHBondContact OH-OH 2.91Å; E280-Y284 HydrophobicContact CB-CD2 4.37Å; E280-Y284 HydrophobicContact CB-CE2 3.95Å; E280-Y284 HydrophobicContact CG-CE2 4.32Å; E280-Y284 WeakPolarHBondContact O-CD2 3.41Å; E280-Y284 PolarHBondContact O-N 3.38Å; K281-Y284 PolarHBondContact O-N 3.41Å; Y284-F288 VanDerWaalsContact O-CB 3.32Å; Y284-F288 WeakPolarHBondContact O-CB 3.19Å; Y284-F288 PolarHBondContact O-N 2.93Å
285	Q	70.2	Confident	71.4	Confident	119 Å²	119	100.7 Å²	100.7	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-70.8	-37	178.6	-166.6	152.2	-4.2	0	0	111.8	K281 D282 K283 Q289	K281-Q285 WeakPolarHBondContact O-CB 3.47Å; K281-Q285 PolarHBondContact O-N 2.95Å; D282-Q285 PolarHBondContact O-N 3.01Å; K283-Q285 VanDerWaalsContact C-N 3.27Å; K283-Q285 PolarHBondContact O-N 2.92Å; Q285-Q289 VanDerWaalsContact O-CG 3.3Å; Q285-Q289 WeakPolarHBondContact O-CG 3.11Å; Q285-Q289 PolarHBondContact O-N 2.8Å; Q285-Q289 VanDerWaalsContact O-N 3.08Å
286	E	82.6	Confident	72.4	Confident	120 Å²	120	99.9 Å²	99.9	56%	0.561	47%	0.471	S	S	*	.	H	α-helix	trans	-66.1	-46.6	171.3	-171.9	179.3	-175.9	0	0	111.8	D282 K283 F288 Q289 N290	D282-E286 PolarHBondContact O-N 3Å; K283-E286 PolarHBondContact O-N 3.19Å; E286-F288 VanDerWaalsContact C-N 3.32Å; E286-F288 PolarHBondContact O-N 3.4Å; E286-Q289 PolarHBondContact O-N 2.88Å; E286-N290 PolarHBondContact O-N 2.92Å
287	E	71.6	Confident	73.9	Confident	93 Å²	93	103.9 Å²	103.9	44%	0.435	49%	0.487	S	S	.	.	H	α-helix	trans	-58	-44.1	175.2	-77.6	179.2	-175	0	0	111.5	K283 Q289 N290 F291	K283-E287 VanDerWaalsContact CE-OE1 3.23Å; K283-E287 WeakPolarHBondContact CE-OE1 3.15Å; K283-E287 IonicContact NZ-OE1 3.88Å; K283-E287 WeakPolarHBondContact O-CG 3.44Å; K283-E287 PolarHBondContact O-N 3.43Å; E287-Q289 PolarHBondContact O-N 3.29Å; E287-N290 PolarHBondContact O-N 3.43Å; E287-F291 WeakPolarHBondContact O-CB 3.45Å; E287-F291 PolarHBondContact O-N 3.15Å
288	F	69.3	Low	74.5	Confident	136 Å²	136	106.4 Å²	106.4	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-61	-43.9	176.4	179.9	-99.7	0	0	0	112.2	Y284 E286 F291 Q292	Y284-F288 VanDerWaalsContact O-CB 3.32Å; Y284-F288 WeakPolarHBondContact O-CB 3.19Å; Y284-F288 PolarHBondContact O-N 2.93Å; E286-F288 VanDerWaalsContact C-N 3.32Å; E286-F288 PolarHBondContact O-N 3.4Å; F288-F291 PolarHBondContact O-N 3.45Å; F288-Q292 WeakPolarHBondContact O-CB 3.37Å; F288-Q292 PolarHBondContact O-N 3.49Å
289	Q	75.7	Confident	74.5	Confident	105 Å²	105	104.3 Å²	104.3	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-43.2	176.8	-73.9	174.6	23.4	0	0	111.9	Q285 E286 E287 Q292 Q293	Q285-Q289 VanDerWaalsContact O-CG 3.3Å; Q285-Q289 WeakPolarHBondContact O-CG 3.11Å; Q285-Q289 PolarHBondContact O-N 2.8Å; Q285-Q289 VanDerWaalsContact O-N 3.08Å; E286-Q289 PolarHBondContact O-N 2.88Å; E287-Q289 PolarHBondContact O-N 3.29Å; Q289-Q292 PolarHBondContact O-N 2.86Å; Q289-Q293 WeakPolarHBondContact O-CG 3.37Å; Q289-Q293 PolarHBondContact O-N 3.33Å
290	N	82.5	Confident	75	Confident	85 Å²	85	102.3 Å²	102.3	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-44.6	176.2	-76.8	-18.9	0	0	0	111.6	E286 E287 Q292 Q293 E294	E286-N290 PolarHBondContact O-N 2.92Å; E287-N290 PolarHBondContact O-N 3.43Å; N290-Q292 VanDerWaalsContact C-N 3.32Å; N290-Q292 PolarHBondContact O-N 2.88Å; N290-Q293 PolarHBondContact O-N 3.34Å; N290-E294 WeakPolarHBondContact O-CB 3.43Å; N290-E294 PolarHBondContact O-N 3.24Å
291	F	68	Low	75.5	Confident	131 Å²	131	103.5 Å²	103.5	58%	0.575	48%	0.479	S	S	*	.	H	α-helix	trans	-62.1	-41.6	177.4	-130.4	-85.6	0	0	0	111.8	E287 F288 E294 L295	E287-F291 WeakPolarHBondContact O-CB 3.45Å; E287-F291 PolarHBondContact O-N 3.15Å; F288-F291 PolarHBondContact O-N 3.45Å; F291-E294 PolarHBondContact O-N 3.24Å; F291-L295 VanDerWaalsContact O-CB 3.26Å; F291-L295 WeakPolarHBondContact O-CB 3.48Å; F291-L295 PolarHBondContact O-N 2.97Å
292	Q	62.6	Low	75.9	Confident	80 Å²	80	105.7 Å²	105.7	37%	0.374	49%	0.488	S	S	.	.	H	α-helix	trans	-62.4	-46.5	177.1	-170.5	64.3	42.7	0	0	111.1	F288 Q289 N290 E294 L295 D296	F288-Q292 WeakPolarHBondContact O-CB 3.37Å; F288-Q292 PolarHBondContact O-N 3.49Å; Q289-Q292 PolarHBondContact O-N 2.86Å; N290-Q292 VanDerWaalsContact C-N 3.32Å; N290-Q292 PolarHBondContact O-N 2.88Å; Q292-E294 PolarHBondContact O-N 3.4Å; Q292-L295 PolarHBondContact O-N 3.21Å; Q292-D296 VanDerWaalsContact O-CG 3.28Å; Q292-D296 PolarHBondContact O-N 3.41Å
293	Q	83.8	Confident	75.7	Confident	127 Å²	127	105.1 Å²	105.1	59%	0.593	48%	0.482	S	S	*	.	H	α-helix	trans	-63.3	-41.1	176.8	-72.4	178.1	9.1	0	0	112.4	Q289 N290 L295 D296 K297	Q289-Q293 WeakPolarHBondContact O-CG 3.37Å; Q289-Q293 PolarHBondContact O-N 3.33Å; N290-Q293 PolarHBondContact O-N 3.34Å; Q293-L295 VanDerWaalsContact C-N 3.35Å; Q293-D296 PolarHBondContact O-N 3.34Å; Q293-K297 WeakPolarHBondContact O-CB 3.37Å; Q293-K297 PolarHBondContact O-N 3.29Å
294	E	80.5	Confident	75.8	Confident	96 Å²	96	106.7 Å²	106.7	45%	0.449	49%	0.489	S	S	.	.	H	α-helix	trans	-66.4	-39	177.7	-163.7	-175.6	156.6	0	0	111.6	N290 F291 Q292 K297 K298	N290-E294 WeakPolarHBondContact O-CB 3.43Å; N290-E294 PolarHBondContact O-N 3.24Å; F291-E294 PolarHBondContact O-N 3.24Å; Q292-E294 PolarHBondContact O-N 3.4Å; E294-K297 PolarHBondContact O-N 3.13Å; E294-K298 WeakPolarHBondContact O-CB 3.27Å; E294-K298 WeakPolarHBondContact O-CG 3.33Å; E294-K298 PolarHBondContact O-N 2.8Å; E294-K298 WeakPolarHBondContact OE1-CE 3.35Å; E294-K298 IonicContact OE1-NZ 3.11Å; E294-K298 PolarHBondContact OE1-NZ 2.87Å
295	L	71	Confident	76.3	Confident	72 Å²	72	108.3 Å²	108.3	38%	0.377	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-42.9	176	-175.3	140.2	0	0	0	111.6	F291 Q292 Q293 K298 K299	F291-L295 VanDerWaalsContact O-CB 3.26Å; F291-L295 WeakPolarHBondContact O-CB 3.48Å; F291-L295 PolarHBondContact O-N 2.97Å; Q292-L295 PolarHBondContact O-N 3.21Å; Q293-L295 VanDerWaalsContact C-N 3.35Å; L295-K298 PolarHBondContact O-N 3.22Å; L295-K299 HydrophobicContact CD2-CD 3.89Å; L295-K299 VanDerWaalsContact CD2-CE 3.4Å; L295-K299 WeakPolarHBondContact O-CB 3.25Å; L295-K299 WeakPolarHBondContact O-CG 3.24Å; L295-K299 PolarHBondContact O-N 2.75Å
296	D	75.3	Confident	76.4	Confident	67 Å²	67	106.7 Å²	106.7	36%	0.358	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-41.2	176.3	-68.8	-24.2	0	0	0	111.1	Q292 Q293 K298 K299 E300	Q292-D296 VanDerWaalsContact O-CG 3.28Å; Q292-D296 PolarHBondContact O-N 3.41Å; Q293-D296 PolarHBondContact O-N 3.34Å; D296-K298 PolarHBondContact O-N 2.99Å; D296-K299 WeakPolarHBondContact O-CB 3.32Å; D296-K299 PolarHBondContact O-N 3.17Å; D296-E300 WeakPolarHBondContact O-CG 3.45Å; D296-E300 PolarHBondContact O-N 3.22Å
297	K	87.8	Confident	75.6	Confident	126 Å²	126	105.5 Å²	105.5	55%	0.548	50%	0.499	S	S	.	.	H	α-helix	trans	-60.9	-45.7	173.8	-174.9	-178.4	174.6	-170.7	0	112.3	Q293 E294 K299 E300 E301	Q293-K297 WeakPolarHBondContact O-CB 3.37Å; Q293-K297 PolarHBondContact O-N 3.29Å; E294-K297 PolarHBondContact O-N 3.13Å; K297-K299 VanDerWaalsContact C-N 3.34Å; K297-K299 PolarHBondContact O-N 2.94Å; K297-E300 PolarHBondContact O-N 2.88Å; K297-E301 WeakPolarHBondContact CE-OE1 3.46Å; K297-E301 WeakPolarHBondContact O-CG 3.37Å; K297-E301 PolarHBondContact O-N 2.63Å
298	K	79.1	Confident	75.3	Confident	118 Å²	118	108.7 Å²	108.7	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-64.7	-37.3	176.6	-78	178.7	-175.7	160	0	112.1	E294 L295 D296 E301 F302	E294-K298 WeakPolarHBondContact O-CB 3.27Å; E294-K298 WeakPolarHBondContact O-CG 3.33Å; E294-K298 PolarHBondContact O-N 2.8Å; E294-K298 WeakPolarHBondContact OE1-CE 3.35Å; E294-K298 IonicContact OE1-NZ 3.11Å; E294-K298 PolarHBondContact OE1-NZ 2.87Å; L295-K298 PolarHBondContact O-N 3.22Å; D296-K298 PolarHBondContact O-N 2.99Å; K298-E301 PolarHBondContact O-N 3.11Å; K298-F302 VanDerWaalsContact O-CB 3.26Å; K298-F302 WeakPolarHBondContact O-CB 3.35Å; K298-F302 PolarHBondContact O-N 3.48Å
299	K	71	Confident	74.8	Confident	125 Å²	125	105.4 Å²	105.4	54%	0.543	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-44.5	172.3	-79.4	176.9	176.1	171.4	0	111.5	L295 D296 K297 F302 Q303	L295-K299 HydrophobicContact CD2-CD 3.89Å; L295-K299 VanDerWaalsContact CD2-CE 3.4Å; L295-K299 WeakPolarHBondContact O-CB 3.25Å; L295-K299 WeakPolarHBondContact O-CG 3.24Å; L295-K299 PolarHBondContact O-N 2.75Å; D296-K299 WeakPolarHBondContact O-CB 3.32Å; D296-K299 PolarHBondContact O-N 3.17Å; K297-K299 VanDerWaalsContact C-N 3.34Å; K297-K299 PolarHBondContact O-N 2.94Å; K299-F302 PolarHBondContact O-N 3.48Å; K299-Q303 WeakPolarHBondContact O-CB 3.37Å; K299-Q303 PolarHBondContact O-N 2.89Å
300	E	81.2	Confident	73.5	Confident	118 Å²	118	107.8 Å²	107.8	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-64.2	-42.9	176.8	-74.7	-174.5	-173.1	0	0	112.8	D296 K297 Q303 K304	D296-E300 WeakPolarHBondContact O-CG 3.45Å; D296-E300 PolarHBondContact O-N 3.22Å; K297-E300 PolarHBondContact O-N 2.88Å; E300-Q303 PolarHBondContact O-N 2.95Å; E300-K304 WeakPolarHBondContact O-CG 3.39Å; E300-K304 PolarHBondContact O-N 3.44Å
301	E	82.4	Confident	72.2	Confident	90 Å²	90	107.2 Å²	107.2	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-47.8	175.3	-74.1	172.7	179.6	0	0	110.8	K297 K298 Q303 K304 D305	K297-E301 WeakPolarHBondContact CE-OE1 3.46Å; K297-E301 WeakPolarHBondContact O-CG 3.37Å; K297-E301 PolarHBondContact O-N 2.63Å; K298-E301 PolarHBondContact O-N 3.11Å; E301-Q303 VanDerWaalsContact C-N 3.33Å; E301-Q303 PolarHBondContact O-N 3.1Å; E301-K304 PolarHBondContact O-N 3.26Å; E301-D305 PolarHBondContact O-N 2.95Å
302	F	73.8	Confident	70.8	Confident	100 Å²	100	108.6 Å²	108.6	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-59.3	-41.9	175.5	-174.6	-91.8	0	0	0	112.3	K298 K299 K304 D305 H306	K298-F302 VanDerWaalsContact O-CB 3.26Å; K298-F302 WeakPolarHBondContact O-CB 3.35Å; K298-F302 PolarHBondContact O-N 3.48Å; K299-F302 PolarHBondContact O-N 3.48Å; F302-K304 PolarHBondContact O-N 2.89Å; F302-D305 PolarHBondContact O-N 3.48Å; F302-H306 AromaticContact CD2-CD2 3.76Å; F302-H306 AromaticContact CE2-CD2 3.47Å; F302-H306 VanDerWaalsContact CE2-CD2 3.47Å; F302-H306 WeakPolarHBondContact CE2-CD2 3.47Å; F302-H306 AromaticContact CE2-NE2 4Å; F302-H306 AromaticContact CZ-CD2 3.65Å; F302-H306 WeakPolarHBondContact O-CB 3.41Å; F302-H306 PolarHBondContact O-N 3.35Å
303	Q	74.3	Confident	69.7	Low	92 Å²	92	109.7 Å²	109.7	43%	0.43	56%	0.558	S	S	.	*	H	α-helix	trans	-66.5	-35.5	178	-163.5	101.5	55.5	0	0	112.4	K299 E300 E301 H306 Q310	K299-Q303 WeakPolarHBondContact O-CB 3.37Å; K299-Q303 PolarHBondContact O-N 2.89Å; E300-Q303 PolarHBondContact O-N 2.95Å; E301-Q303 VanDerWaalsContact C-N 3.33Å; E301-Q303 PolarHBondContact O-N 3.1Å; Q303-H306 CarbonylContact O-C 3.57Å; Q303-Q310 VanDerWaalsContact NE2-CG 3.31Å
304	K	80.3	Confident	67.8	Low	152 Å²	152	109.5 Å²	109.5	66%	0.661	56%	0.559	S	S	*	*	H	α-helix	trans	-69.2	-40.6	176.1	-77.5	171.3	-176.8	164.4	0	112	E300 E301 F302 H306	E300-K304 WeakPolarHBondContact O-CG 3.39Å; E300-K304 PolarHBondContact O-N 3.44Å; E301-K304 PolarHBondContact O-N 3.26Å; F302-K304 PolarHBondContact O-N 2.89Å; K304-H306 VanDerWaalsContact C-N 3.32Å
305	D	79.9	Confident	65.9	Low	123 Å²	123	112.1 Å²	112.1	66%	0.658	58%	0.576	S	S	*	*	H	α-helix	trans	-77.9	-20.9	-179.8	-69.5	-15.8	0	0	0	112.3	E301 F302 P307	E301-D305 PolarHBondContact O-N 2.95Å; F302-D305 PolarHBondContact O-N 3.48Å; D305-P307 VanDerWaalsContact C-CD 3.48Å; D305-P307 WeakPolarHBondContact O-CD 3.11Å
306	H	71.9	Confident	64.4	Low	85 Å²	85	116 Å²	116	39%	0.394	60%	0.597	S	S	.	*			trans	-128.9	67.1	-178.1	-59.8	-32.3	0	0	0	113.3	F302 Q303 K304 N308 V309	F302-H306 AromaticContact CD2-CD2 3.76Å; F302-H306 AromaticContact CE2-CD2 3.47Å; F302-H306 VanDerWaalsContact CE2-CD2 3.47Å; F302-H306 WeakPolarHBondContact CE2-CD2 3.47Å; F302-H306 AromaticContact CE2-NE2 4Å; F302-H306 AromaticContact CZ-CD2 3.65Å; F302-H306 WeakPolarHBondContact O-CB 3.41Å; F302-H306 PolarHBondContact O-N 3.35Å; Q303-H306 CarbonylContact O-C 3.57Å; K304-H306 VanDerWaalsContact C-N 3.32Å; H306-N308 PolarHBondContact O-N 3.48Å; H306-N308 VanDerWaalsContact O-N 3.09Å; H306-V309 HydrophobicContact CB-CB 4.16Å; H306-V309 HydrophobicContact CB-CG2 3.85Å; H306-V309 PolarHBondContact O-N 2.98Å; H306-V309 VanDerWaalsContact O-N 3.16Å
307	P	65.7	Low	62.9	Low	94 Å²	94	119.8 Å²	119.8	61%	0.61	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-16.8	-177.5	24.2	-32.9	0	0	0	114.3	D305	D305-P307 VanDerWaalsContact C-CD 3.48Å; D305-P307 WeakPolarHBondContact O-CD 3.11Å
308	N	64.6	Low	60.7	Low	160 Å²	160	124 Å²	124	86%	0.856	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-1.8	179	-75	-22.5	0	0	0	114.6	H306 Q310	H306-N308 PolarHBondContact O-N 3.48Å; H306-N308 VanDerWaalsContact O-N 3.09Å; N308-Q310 PolarHBondContact O-N 3.27Å
309	V	60.5	Low	58.9	Low	68 Å²	68	122.8 Å²	122.8	41%	0.412	63%	0.627	S	S	.	*			trans	-101.5	36.4	-175.4	-167.9	0	0	0	0	111.1	H306 G311	H306-V309 HydrophobicContact CB-CB 4.16Å; H306-V309 HydrophobicContact CB-CG2 3.85Å; H306-V309 PolarHBondContact O-N 2.98Å; H306-V309 VanDerWaalsContact O-N 3.16Å; V309-G311 PolarHBondContact O-N 2.9Å
310	Q	48.1	Very low	58	Low	155 Å²	155	119.4 Å²	119.4	72%	0.724	62%	0.619	S	S	*	*	S	Bend	trans	-80.2	104.1	169.2	-89.5	-177.2	-12.6	0	0	110.1	Q303 N308	Q303-Q310 VanDerWaalsContact NE2-CG 3.31Å; N308-Q310 PolarHBondContact O-N 3.27Å
311	G	54.5	Low	56.6	Low	73 Å²	73	119.1 Å²	119.1	75%	0.753	63%	0.625	S	S	*	*	S	Bend	trans	112.3	6.5	154.8	0	0	0	0	0	118.4	V309	V309-G311 PolarHBondContact O-N 2.9Å
312	E	39.3	Very low	55.1	Low	159 Å²	159	119.4 Å²	119.4	74%	0.743	63%	0.629	S	S	*	*			trans	-95.2	119.8	170.7	-72.5	-76.1	155.3	0	0	109.5	I314	E312-I314 PolarHBondContact O-N 3.24Å
313	P	38.8	Very low	53.9	Low	104 Å²	104	118.2 Å²	118.2	68%	0.675	63%	0.628	S	S	*	*			trans	-66.3	115	170.7	17.4	-11.7	0	0	0	108.6	D315	P313-D315 PolarHBondContact O-N 2.91Å
314	I	44.2	Very low	52.9	Low	123 Å²	123	121.1 Å²	121.1	63%	0.631	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	52.1	179	-43.7	175.5	0	0	0	110	E312	E312-I314 PolarHBondContact O-N 3.24Å
315	D	39.4	Very low	51.9	Low	151 Å²	151	119.1 Å²	119.1	81%	0.807	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-8.9	179.6	-105	-6.3	0	0	0	114.5	P313	P313-D315 PolarHBondContact O-N 2.91Å
316	D	41.4	Very low	50.9	Low	153 Å²	153	116.7 Å²	116.7	82%	0.818	61%	0.614	S	S	*	*			trans	-116.8	69.8	175.9	-78.9	-27.4	0	0	0	111.4	Y318	D316-Y318 PolarHBondContact O-N 3.34Å
317	L	42.8	Very low	50.5	Low	146 Å²	146	117.7 Å²	117.7	76%	0.764	62%	0.615	S	S	*	*			trans	-86.7	95.8	169.6	-162.4	70.5	0	0	0	109.9
318	Y	40.9	Very low	50.1	Low	216 Å²	216	118.7 Å²	118.7	85%	0.847	61%	0.611	S	S	*	*			trans	61.4	83.6	168.3	-78.2	-93.3	0	0	0	117.1	D316	D316-Y318 PolarHBondContact O-N 3.34Å
319	E	41.4	Very low	50.2	Low	91 Å²	91	115 Å²	115	43%	0.425	59%	0.594	S	S	.	*			trans	-81.6	120.8	157	-163.3	173.2	-140.8	0	0	108.4	D323 R324 R327	E319-D323 HydrophobicContact CG-CB 3.71Å; E319-R324 HydrophobicContact CG-CB 4.45Å; E319-R327 WeakPolarHBondContact OE1-CD 3.34Å; E319-R327 IonicContact OE1-CZ 2.72Å; E319-R327 IonicContact OE1-NH1 3.7Å; E319-R327 PolarHBondContact OE1-NH1 2.93Å; E319-R327 VanDerWaalsContact OE1-NH1 3.1Å; E319-R327 IonicContact OE2-NH1 2.8Å; E319-R327 PolarHBondContact OE2-NH1 3.46Å; E319-R327 VanDerWaalsContact OE2-NH1 3.14Å
320	S	53.3	Low	50	Low	55 Å²	55	114.8 Å²	114.8	39%	0.385	59%	0.588	S	S	.	*			trans	-70.2	156.1	176.6	78.3	0	0	0	0	110.5	N322 D323 R324	S320-N322 PolarHBondContact O-N 2.83Å; S320-N322 VanDerWaalsContact O-N 3.11Å; S320-D323 VanDerWaalsContact CB-OD2 3.3Å; S320-D323 WeakPolarHBondContact CB-OD2 3.38Å; S320-D323 PolarHBondContact N-OD2 2.9Å; S320-D323 PolarHBondContact O-N 3.34Å; S320-D323 PolarHBondContact OG-N 2.85Å; S320-D323 PolarHBondContact OG-OD2 2.88Å; S320-R324 PolarHBondContact O-N 3.38Å
321	V	50.8	Low	50.4	Low	111 Å²	111	112 Å²	112	67%	0.673	57%	0.574	S	S	*	*	H	α-helix	trans	-54.3	-34.1	177.4	179.6	0	0	0	0	111.3	E325	V321-E325 WeakPolarHBondContact O-CG 3.17Å; V321-E325 PolarHBondContact O-N 2.83Å; V321-E325 VanDerWaalsContact O-N 3.09Å
322	N	50.9	Low	50.8	Low	96 Å²	96	110.2 Å²	110.2	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-70.4	-38	176.7	-164.6	62.1	0	0	0	112.4	S320 R324 E325 I326	S320-N322 PolarHBondContact O-N 2.83Å; S320-N322 VanDerWaalsContact O-N 3.11Å; N322-R324 VanDerWaalsContact C-N 3.34Å; N322-E325 PolarHBondContact O-N 3.46Å; N322-I326 WeakPolarHBondContact O-CB 3.48Å; N322-I326 WeakPolarHBondContact O-CD1 3.4Å; N322-I326 WeakPolarHBondContact O-CG1 3.48Å; N322-I326 PolarHBondContact O-N 3.08Å
323	D	48.3	Very low	51.3	Low	76 Å²	76	107.6 Å²	107.6	41%	0.406	55%	0.545	S	S	.	.	H	α-helix	trans	-67.7	-37	176.6	-61.2	-42.8	0	0	0	111.5	E319 S320 I326 R327	E319-D323 HydrophobicContact CG-CB 3.71Å; S320-D323 VanDerWaalsContact CB-OD2 3.3Å; S320-D323 WeakPolarHBondContact CB-OD2 3.38Å; S320-D323 PolarHBondContact N-OD2 2.9Å; S320-D323 PolarHBondContact O-N 3.34Å; S320-D323 PolarHBondContact OG-N 2.85Å; S320-D323 PolarHBondContact OG-OD2 2.88Å; D323-I326 PolarHBondContact O-N 3.48Å; D323-R327 VanDerWaalsContact O-CB 3.28Å; D323-R327 WeakPolarHBondContact O-CB 3.41Å; D323-R327 PolarHBondContact O-N 2.9Å
324	R	54	Low	52	Low	152 Å²	152	104.3 Å²	104.3	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-66.6	-42.5	175.2	-174.4	178.9	176.2	-177.2	1.4	112.4	E319 S320 N322 R327 Q328	E319-R324 HydrophobicContact CG-CB 4.45Å; S320-R324 PolarHBondContact O-N 3.38Å; N322-R324 VanDerWaalsContact C-N 3.34Å; R324-R327 PolarHBondContact O-N 3.28Å; R324-Q328 WeakPolarHBondContact O-CG 3.4Å; R324-Q328 PolarHBondContact O-N 3.47Å
325	E	59.6	Low	52.8	Low	110 Å²	110	105 Å²	105	51%	0.514	52%	0.516	S	S	.	.	H	α-helix	trans	-64.1	-44	175.4	-75.4	177.4	-173.6	0	0	111.1	V321 N322 R327 Q328 V329	V321-E325 WeakPolarHBondContact O-CG 3.17Å; V321-E325 PolarHBondContact O-N 2.83Å; V321-E325 VanDerWaalsContact O-N 3.09Å; N322-E325 PolarHBondContact O-N 3.46Å; E325-R327 PolarHBondContact O-N 2.72Å; E325-Q328 PolarHBondContact O-N 2.95Å; E325-V329 WeakPolarHBondContact O-CG2 3.27Å; E325-V329 PolarHBondContact O-N 3.49Å
326	I	57.7	Low	54	Low	73 Å²	73	102.8 Å²	102.8	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-59.3	-47.1	174.5	-74	170.7	0	0	0	110.3	N322 D323 Q328 V329 F330	N322-I326 WeakPolarHBondContact O-CB 3.48Å; N322-I326 WeakPolarHBondContact O-CD1 3.4Å; N322-I326 WeakPolarHBondContact O-CG1 3.48Å; N322-I326 PolarHBondContact O-N 3.08Å; D323-I326 PolarHBondContact O-N 3.48Å; I326-Q328 PolarHBondContact O-N 3.36Å; I326-V329 PolarHBondContact O-N 3.02Å; I326-F330 HydrophobicContact CG2-CD2 3.48Å; I326-F330 VanDerWaalsContact CG2-CD2 3.48Å; I326-F330 HydrophobicContact CG2-CE2 3.56Å; I326-F330 WeakPolarHBondContact O-CB 3.3Å; I326-F330 WeakPolarHBondContact O-CD2 3.43Å; I326-F330 PolarHBondContact O-N 3.06Å
327	R	64	Low	54.7	Low	106 Å²	106	98.7 Å²	98.7	40%	0.4	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-43.4	177.7	-176	177.9	129.5	-165.7	2	112.3	E319 D323 R324 E325 V329 F330 E331	E319-R327 WeakPolarHBondContact OE1-CD 3.34Å; E319-R327 IonicContact OE1-CZ 2.72Å; E319-R327 IonicContact OE1-NH1 3.7Å; E319-R327 PolarHBondContact OE1-NH1 2.93Å; E319-R327 VanDerWaalsContact OE1-NH1 3.1Å; E319-R327 IonicContact OE2-NH1 2.8Å; E319-R327 PolarHBondContact OE2-NH1 3.46Å; E319-R327 VanDerWaalsContact OE2-NH1 3.14Å; D323-R327 VanDerWaalsContact O-CB 3.28Å; D323-R327 WeakPolarHBondContact O-CB 3.41Å; D323-R327 PolarHBondContact O-N 2.9Å; R324-R327 PolarHBondContact O-N 3.28Å; E325-R327 PolarHBondContact O-N 2.72Å; R327-V329 PolarHBondContact O-N 3.39Å; R327-F330 CarbonylContact O-C 3.48Å; R327-F330 PolarHBondContact O-N 3.41Å; R327-E331 HydrophobicContact CG-CG 4.24Å; R327-E331 WeakPolarHBondContact CG-OE1 3.47Å; R327-E331 IonicContact CZ-OE1 3Å; R327-E331 IonicContact NE-OE1 2.68Å; R327-E331 PolarHBondContact NE-OE1 3.02Å; R327-E331 IonicContact NH2-OE1 2.65Å; R327-E331 WeakPolarHBondContact O-CB 3.45Å; R327-E331 VanDerWaalsContact O-CG 3.29Å; R327-E331 WeakPolarHBondContact O-CG 3.36Å; R327-E331 PolarHBondContact O-N 3.27Å
328	Q	57.8	Low	55.4	Low	114 Å²	114	95.6 Å²	95.6	53%	0.533	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-39.7	177	-76.3	-176.7	-26.2	0	0	112.5	R324 E325 I326 G332	R324-Q328 WeakPolarHBondContact O-CG 3.4Å; R324-Q328 PolarHBondContact O-N 3.47Å; E325-Q328 PolarHBondContact O-N 2.95Å; I326-Q328 PolarHBondContact O-N 3.36Å; Q328-G332 PolarHBondContact O-N 2.98Å
329	V	67.3	Low	56.6	Low	83 Å²	83	89.4 Å²	89.4	50%	0.503	44%	0.441	S	S	.	.	H	α-helix	trans	-63.5	-44.3	173.4	172.2	0	0	0	0	110.5	E325 I326 R327 G332 Q333	E325-V329 WeakPolarHBondContact O-CG2 3.27Å; E325-V329 PolarHBondContact O-N 3.49Å; I326-V329 PolarHBondContact O-N 3.02Å; R327-V329 PolarHBondContact O-N 3.39Å; V329-G332 PolarHBondContact O-N 3.41Å; V329-Q333 HydrophobicContact CG1-CG 4.48Å; V329-Q333 WeakPolarHBondContact O-CG 3.42Å; V329-Q333 PolarHBondContact O-N 3.48Å
330	F	54.8	Low	57.7	Low	64 Å²	64	89 Å²	89	28%	0.281	44%	0.441	S	S	.	.	H	α-helix	trans	-71.2	-35.3	179.6	-83.6	-66.1	0	0	0	113.4	F215 I326 R327 G332 Q333 N334	F215-F330 HydrophobicContact CD1-CD1 4.16Å; F215-F330 HydrophobicContact CD1-CE1 4.07Å; F215-F330 HydrophobicContact CE1-CD1 4.41Å; F215-F330 AromaticContact CE1-CE1 3.88Å; F215-F330 HydrophobicContact CE1-CE1 3.88Å; I326-F330 HydrophobicContact CG2-CD2 3.48Å; I326-F330 VanDerWaalsContact CG2-CD2 3.48Å; I326-F330 HydrophobicContact CG2-CE2 3.56Å; I326-F330 WeakPolarHBondContact O-CB 3.3Å; I326-F330 WeakPolarHBondContact O-CD2 3.43Å; I326-F330 PolarHBondContact O-N 3.06Å; R327-F330 CarbonylContact O-C 3.48Å; R327-F330 PolarHBondContact O-N 3.41Å; F330-G332 VanDerWaalsContact C-N 3.31Å; F330-Q333 PolarHBondContact O-N 3.3Å; F330-N334 WeakPolarHBondContact O-CB 3.46Å; F330-N334 PolarHBondContact O-N 2.85Å
331	E	58.3	Low	58	Low	95 Å²	95	88 Å²	88	44%	0.444	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-41.3	170.9	-76.7	174.2	-174.8	0	0	110.3	R327 R335	R327-E331 HydrophobicContact CG-CG 4.24Å; R327-E331 WeakPolarHBondContact CG-OE1 3.47Å; R327-E331 IonicContact CZ-OE1 3Å; R327-E331 IonicContact NE-OE1 2.68Å; R327-E331 PolarHBondContact NE-OE1 3.02Å; R327-E331 IonicContact NH2-OE1 2.65Å; R327-E331 WeakPolarHBondContact O-CB 3.45Å; R327-E331 VanDerWaalsContact O-CG 3.29Å; R327-E331 WeakPolarHBondContact O-CG 3.36Å; R327-E331 PolarHBondContact O-N 3.27Å; E331-R335 WeakPolarHBondContact O-CB 3.14Å; E331-R335 PolarHBondContact O-N 2.88Å
332	G	61.7	Low	58.8	Low	37 Å²	37	87.5 Å²	87.5	38%	0.381	42%	0.42	S	S	.	.	H	α-helix	trans	-62.7	-47.2	172.8	0	0	0	0	0	112.8	Q328 V329 F330 R335 I336	Q328-G332 PolarHBondContact O-N 2.98Å; V329-G332 PolarHBondContact O-N 3.41Å; F330-G332 VanDerWaalsContact C-N 3.31Å; G332-R335 PolarHBondContact O-N 3.42Å; G332-I336 WeakPolarHBondContact O-CG1 2.74Å; G332-I336 PolarHBondContact O-N 3.15Å; G332-I336 VanDerWaalsContact O-N 3.09Å
333	Q	51	Low	59.5	Low	104 Å²	104	86.7 Å²	86.7	49%	0.486	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-39.1	176.9	-74.4	-174.1	0.8	0	0	112.5	V329 F330 R335 I336 H337	V329-Q333 HydrophobicContact CG1-CG 4.48Å; V329-Q333 WeakPolarHBondContact O-CG 3.42Å; V329-Q333 PolarHBondContact O-N 3.48Å; F330-Q333 PolarHBondContact O-N 3.3Å; Q333-R335 VanDerWaalsContact C-N 3.31Å; Q333-R335 PolarHBondContact O-N 2.75Å; Q333-I336 CarbonylContact O-C 3.6Å; Q333-I336 WeakPolarHBondContact O-CB 3.11Å; Q333-I336 PolarHBondContact O-N 3.35Å; Q333-H337 WeakPolarHBondContact O-CB 3.42Å; Q333-H337 PolarHBondContact O-N 2.61Å
334	N	53.2	Low	60.2	Low	34 Å²	34	87.6 Å²	87.6	18%	0.182	42%	0.42	C	S	.	.	H	α-helix	trans	-63.5	-40.7	176.5	-175.3	37.9	0	0	0	110.6	T216 F330 I336 H337 L338	T216-N334 WeakPolarHBondContact CG2-OD1 3.38Å; F330-N334 WeakPolarHBondContact O-CB 3.46Å; F330-N334 PolarHBondContact O-N 2.85Å; N334-I336 VanDerWaalsContact C-N 3.33Å; N334-I336 PolarHBondContact O-N 3.26Å; N334-H337 PolarHBondContact O-N 3.34Å; N334-L338 WeakPolarHBondContact O-CB 3.15Å; N334-L338 VanDerWaalsContact O-CG 3.27Å; N334-L338 WeakPolarHBondContact O-CG 3.2Å; N334-L338 PolarHBondContact O-N 2.78Å
335	R	59.8	Low	60.8	Low	138 Å²	138	88.1 Å²	88.1	52%	0.521	42%	0.422	S	S	.	.	H	α-helix	trans	-61.1	-43	173.6	-164.6	169.7	-179.1	176	-2.9	111.4	E331 G332 Q333 L338 E339	E331-R335 WeakPolarHBondContact O-CB 3.14Å; E331-R335 PolarHBondContact O-N 2.88Å; G332-R335 PolarHBondContact O-N 3.42Å; Q333-R335 VanDerWaalsContact C-N 3.31Å; Q333-R335 PolarHBondContact O-N 2.75Å; R335-L338 PolarHBondContact O-N 3.32Å; R335-E339 VanDerWaalsContact O-CG 3.3Å; R335-E339 WeakPolarHBondContact O-CG 3.41Å; R335-E339 PolarHBondContact O-N 3.13Å; R335-E339 VanDerWaalsContact O-N 3.11Å
336	I	65.8	Low	61	Low	105 Å²	105	86 Å²	86	54%	0.538	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-42.9	174.1	-65.4	165.7	0	0	0	111.3	G332 Q333 N334 E339 I340	G332-I336 WeakPolarHBondContact O-CG1 2.74Å; G332-I336 PolarHBondContact O-N 3.15Å; G332-I336 VanDerWaalsContact O-N 3.09Å; Q333-I336 CarbonylContact O-C 3.6Å; Q333-I336 WeakPolarHBondContact O-CB 3.11Å; Q333-I336 PolarHBondContact O-N 3.35Å; N334-I336 VanDerWaalsContact C-N 3.33Å; N334-I336 PolarHBondContact O-N 3.26Å; I336-E339 PolarHBondContact O-N 2.81Å; I336-I340 HydrophobicContact CG2-CD1 3.83Å; I336-I340 HydrophobicContact CG2-CG1 4.41Å; I336-I340 VanDerWaalsContact O-CG1 3.3Å; I336-I340 WeakPolarHBondContact O-CG1 3.22Å; I336-I340 PolarHBondContact O-N 3.25Å
337	H	55.5	Low	61	Low	67 Å²	67	86.5 Å²	86.5	31%	0.31	42%	0.415	S	S	.	.	H	α-helix	trans	-63.4	-43.3	179.1	-175.1	68.5	0	0	0	112	E223 Q333 N334 E339 I340 K341	E223-H337 IonicContact OE1-CE1 2.85Å; E223-H337 IonicContact OE1-NE2 3.1Å; E223-H337 PolarHBondContact OE1-NE2 2.96Å; E223-H337 VanDerWaalsContact OE1-NE2 3.11Å; Q333-H337 WeakPolarHBondContact O-CB 3.42Å; Q333-H337 PolarHBondContact O-N 2.61Å; N334-H337 PolarHBondContact O-N 3.34Å; H337-E339 VanDerWaalsContact C-N 3.33Å; H337-E339 PolarHBondContact O-N 3.5Å; H337-I340 PolarHBondContact O-N 2.9Å; H337-K341 WeakPolarHBondContact O-CB 3.01Å; H337-K341 PolarHBondContact O-N 2.88Å
338	L	58.3	Low	60.7	Low	80 Å²	80	84.1 Å²	84.1	42%	0.419	42%	0.418	S	S	.	.	H	α-helix	trans	-62	-40.8	175.5	-71.9	170.7	0	0	0	111.6	N334 R335 K341 Q342	N334-L338 WeakPolarHBondContact O-CB 3.15Å; N334-L338 VanDerWaalsContact O-CG 3.27Å; N334-L338 WeakPolarHBondContact O-CG 3.2Å; N334-L338 PolarHBondContact O-N 2.78Å; R335-L338 PolarHBondContact O-N 3.32Å; L338-K341 WeakPolarHBondContact O-CB 3.48Å; L338-K341 PolarHBondContact O-N 2.69Å; L338-Q342 WeakPolarHBondContact O-CB 3.41Å; L338-Q342 PolarHBondContact O-N 3.27Å
339	E	64.3	Low	61	Low	87 Å²	87	84.3 Å²	84.3	41%	0.407	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-41.8	173.8	-67.8	-63	164.6	0	0	111.6	R335 I336 H337 K341 Q342 I343	R335-E339 VanDerWaalsContact O-CG 3.3Å; R335-E339 WeakPolarHBondContact O-CG 3.41Å; R335-E339 PolarHBondContact O-N 3.13Å; R335-E339 VanDerWaalsContact O-N 3.11Å; I336-E339 PolarHBondContact O-N 2.81Å; H337-E339 VanDerWaalsContact C-N 3.33Å; H337-E339 PolarHBondContact O-N 3.5Å; E339-K341 VanDerWaalsContact C-N 3.3Å; E339-K341 PolarHBondContact O-N 2.87Å; E339-Q342 PolarHBondContact O-N 3.1Å; E339-I343 WeakPolarHBondContact O-CB 3.43Å; E339-I343 VanDerWaalsContact O-CG1 3.23Å; E339-I343 WeakPolarHBondContact O-CG1 3.45Å; E339-I343 PolarHBondContact O-N 3.2Å
340	I	65.6	Low	61	Low	82 Å²	82	84.2 Å²	84.2	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-61.6	-40.4	173.5	-69.4	167.8	0	0	0	110.8	I336 H337 Q342 I343 N344	I336-I340 HydrophobicContact CG2-CD1 3.83Å; I336-I340 HydrophobicContact CG2-CG1 4.41Å; I336-I340 VanDerWaalsContact O-CG1 3.3Å; I336-I340 WeakPolarHBondContact O-CG1 3.22Å; I336-I340 PolarHBondContact O-N 3.25Å; H337-I340 PolarHBondContact O-N 2.9Å; I340-Q342 VanDerWaalsContact C-N 3.34Å; I340-I343 PolarHBondContact O-N 3.26Å; I340-N344 WeakPolarHBondContact O-CB 3.45Å; I340-N344 PolarHBondContact O-N 2.73Å; I340-N344 PolarHBondContact O-ND2 3.14Å
341	K	60.2	Low	61.3	Low	33 Å²	33	85.9 Å²	85.9	14%	0.143	43%	0.428	C	S	.	.	H	α-helix	trans	-65.1	-39.5	177.1	-167	171.3	-174.9	162.1	0	111.1	D221 E223 H337 L338 E339 N344 R345	D221-K341 IonicContact OD1-NZ 2.69Å; D221-K341 PolarHBondContact OD1-NZ 3.14Å; E223-K341 IonicContact OE1-NZ 3.94Å; H337-K341 WeakPolarHBondContact O-CB 3.01Å; H337-K341 PolarHBondContact O-N 2.88Å; L338-K341 WeakPolarHBondContact O-CB 3.48Å; L338-K341 PolarHBondContact O-N 2.69Å; E339-K341 VanDerWaalsContact C-N 3.3Å; E339-K341 PolarHBondContact O-N 2.87Å; K341-N344 PolarHBondContact O-N 3.5Å; K341-R345 WeakPolarHBondContact O-CG 3.37Å; K341-R345 PolarHBondContact O-N 3.07Å
342	Q	67.2	Low	61.5	Low	102 Å²	102	86 Å²	86	48%	0.477	43%	0.431	S	S	.	.	H	α-helix	trans	-65.8	-44.2	173.7	-178.2	167.1	-35	0	0	111.7	L338 E339 I340 N344 R345 Q346	L338-Q342 WeakPolarHBondContact O-CB 3.41Å; L338-Q342 PolarHBondContact O-N 3.27Å; E339-Q342 PolarHBondContact O-N 3.1Å; I340-Q342 VanDerWaalsContact C-N 3.34Å; Q342-N344 VanDerWaalsContact C-N 3.34Å; Q342-N344 PolarHBondContact O-N 2.85Å; Q342-R345 PolarHBondContact O-N 2.93Å; Q342-Q346 WeakPolarHBondContact O-CG 3.27Å; Q342-Q346 PolarHBondContact O-N 3.27Å
343	I	65.4	Low	61.9	Low	78 Å²	78	89.4 Å²	89.4	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-60.6	-44.1	174.2	-68.9	164.6	0	0	0	110.5	E339 I340 R345 Q346 L347	E339-I343 WeakPolarHBondContact O-CB 3.43Å; E339-I343 VanDerWaalsContact O-CG1 3.23Å; E339-I343 WeakPolarHBondContact O-CG1 3.45Å; E339-I343 PolarHBondContact O-N 3.2Å; I340-I343 PolarHBondContact O-N 3.26Å; I343-R345 PolarHBondContact O-N 3.44Å; I343-Q346 PolarHBondContact O-N 2.88Å; I343-L347 HydrophobicContact CG2-CD1 3.85Å; I343-L347 HydrophobicContact CG2-CG 4.5Å; I343-L347 WeakPolarHBondContact O-CB 3.48Å; I343-L347 PolarHBondContact O-N 2.77Å
344	N	63.6	Low	62.2	Low	95 Å²	95	90.3 Å²	90.3	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-63.3	-40.2	177	-82.8	-26.4	0	0	0	112.2	I340 K341 Q342 L347 A348	I340-N344 WeakPolarHBondContact O-CB 3.45Å; I340-N344 PolarHBondContact O-N 2.73Å; I340-N344 PolarHBondContact O-ND2 3.14Å; K341-N344 PolarHBondContact O-N 3.5Å; Q342-N344 VanDerWaalsContact C-N 3.34Å; Q342-N344 PolarHBondContact O-N 2.85Å; N344-L347 PolarHBondContact O-N 3Å; N344-A348 WeakPolarHBondContact O-CB 3.35Å; N344-A348 PolarHBondContact O-N 3.27Å
345	R	65.3	Low	62.8	Low	163 Å²	163	97.7 Å²	97.7	62%	0.615	47%	0.467	S	S	*	.	H	α-helix	trans	-63.8	-42.9	173.3	-75.9	175.6	178.5	171.4	-0.3	111.5	K341 Q342 I343 A348 M349	K341-R345 WeakPolarHBondContact O-CG 3.37Å; K341-R345 PolarHBondContact O-N 3.07Å; Q342-R345 PolarHBondContact O-N 2.93Å; I343-R345 PolarHBondContact O-N 3.44Å; R345-A348 PolarHBondContact O-N 3.13Å; R345-M349 WeakPolarHBondContact O-CG 3.45Å; R345-M349 PolarHBondContact O-N 2.97Å
346	Q	64.6	Low	63	Low	65 Å²	65	100 Å²	100	30%	0.304	48%	0.476	S	S	.	.	H	α-helix	trans	-66.5	-41.7	176.6	-74.1	-177.3	-19.7	0	0	112.2	Q342 I343 A348 M349 I350	Q342-Q346 WeakPolarHBondContact O-CG 3.27Å; Q342-Q346 PolarHBondContact O-N 3.27Å; I343-Q346 PolarHBondContact O-N 2.88Å; Q346-A348 VanDerWaalsContact C-N 3.34Å; Q346-A348 PolarHBondContact O-N 3.02Å; Q346-M349 HydrophobicContact CB-CE 4.42Å; Q346-M349 HydrophobicContact CG-CE 3.94Å; Q346-M349 PolarHBondContact O-N 3.33Å; Q346-I350 VanDerWaalsContact O-CG1 3.25Å; Q346-I350 WeakPolarHBondContact O-CG1 3.23Å; Q346-I350 PolarHBondContact O-N 3.18Å
347	L	57.1	Low	62.8	Low	84 Å²	84	101.1 Å²	101.1	44%	0.44	47%	0.474	S	S	.	.	H	α-helix	trans	-60.4	-42.5	172.3	-89.2	163.1	0	0	0	111.6	I343 N344 I350 L351	I343-L347 HydrophobicContact CG2-CD1 3.85Å; I343-L347 HydrophobicContact CG2-CG 4.5Å; I343-L347 WeakPolarHBondContact O-CB 3.48Å; I343-L347 PolarHBondContact O-N 2.77Å; N344-L347 PolarHBondContact O-N 3Å; L347-I350 PolarHBondContact O-N 2.84Å; L347-L351 WeakPolarHBondContact O-CB 3.35Å; L347-L351 VanDerWaalsContact O-CG 3.24Å; L347-L351 WeakPolarHBondContact O-CG 3.2Å; L347-L351 PolarHBondContact O-N 2.84Å
348	A	58.3	Low	63.3	Low	56 Å²	56	102.2 Å²	102.2	46%	0.463	49%	0.485	S	S	.	.	H	α-helix	trans	-63.1	-42.4	176.2	0	0	0	0	0	111.7	N344 R345 Q346 L351 D352	N344-A348 WeakPolarHBondContact O-CB 3.35Å; N344-A348 PolarHBondContact O-N 3.27Å; R345-A348 PolarHBondContact O-N 3.13Å; Q346-A348 VanDerWaalsContact C-N 3.34Å; Q346-A348 PolarHBondContact O-N 3.02Å; A348-L351 PolarHBondContact O-N 3.5Å; A348-D352 WeakPolarHBondContact O-CB 3.44Å; A348-D352 PolarHBondContact O-N 3.45Å
349	M	64.4	Low	63.7	Low	119 Å²	119	102 Å²	102	59%	0.586	49%	0.49	S	S	*	.	H	α-helix	trans	-62.1	-45.1	174.1	-72.5	-174	-67.1	0	0	111.8	R345 Q346 L351 D352 E353	R345-M349 WeakPolarHBondContact O-CG 3.45Å; R345-M349 PolarHBondContact O-N 2.97Å; Q346-M349 HydrophobicContact CB-CE 4.42Å; Q346-M349 HydrophobicContact CG-CE 3.94Å; Q346-M349 PolarHBondContact O-N 3.33Å; M349-L351 VanDerWaalsContact C-N 3.35Å; M349-L351 PolarHBondContact O-N 3.21Å; M349-D352 PolarHBondContact O-N 3.28Å; M349-E353 VanDerWaalsContact O-CB 3.27Å; M349-E353 WeakPolarHBondContact O-CB 3.41Å; M349-E353 PolarHBondContact O-N 2.75Å
350	I	67.3	Low	64	Low	80 Å²	80	101.8 Å²	101.8	41%	0.41	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-40.4	177.3	-68.2	164.9	0	0	0	111.2	Q346 L347 E353 Q354	Q346-I350 VanDerWaalsContact O-CG1 3.25Å; Q346-I350 WeakPolarHBondContact O-CG1 3.23Å; Q346-I350 PolarHBondContact O-N 3.18Å; L347-I350 PolarHBondContact O-N 2.84Å; I350-E353 PolarHBondContact O-N 2.76Å; I350-Q354 WeakPolarHBondContact O-CB 3.49Å; I350-Q354 WeakPolarHBondContact O-CG 3.35Å; I350-Q354 PolarHBondContact O-N 2.68Å
351	L	59.8	Low	64.1	Low	100 Å²	100	102.1 Å²	102.1	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-68.2	-38.5	177.8	-76.7	171.1	0	0	0	112.2	L347 A348 M349 Q354 R355	L347-L351 WeakPolarHBondContact O-CB 3.35Å; L347-L351 VanDerWaalsContact O-CG 3.24Å; L347-L351 WeakPolarHBondContact O-CG 3.2Å; L347-L351 PolarHBondContact O-N 2.84Å; A348-L351 PolarHBondContact O-N 3.5Å; M349-L351 VanDerWaalsContact C-N 3.35Å; M349-L351 PolarHBondContact O-N 3.21Å; L351-Q354 PolarHBondContact O-N 2.89Å; L351-R355 PolarHBondContact O-N 2.88Å
352	D	63	Low	64.6	Low	98 Å²	98	104 Å²	104	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-68	-40.2	175.8	-163.1	52.8	0	0	0	111.3	A348 M349 R355 R356	A348-D352 WeakPolarHBondContact O-CB 3.44Å; A348-D352 PolarHBondContact O-N 3.45Å; M349-D352 PolarHBondContact O-N 3.28Å; D352-R355 WeakPolarHBondContact O-CB 3.21Å; D352-R355 PolarHBondContact O-N 2.81Å; D352-R356 WeakPolarHBondContact O-CB 3.3Å; D352-R356 PolarHBondContact O-N 2.81Å
353	E	69.5	Low	64.5	Low	107 Å²	107	103.1 Å²	103.1	50%	0.5	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-42.9	174	-171.3	159.2	-155.2	0	0	111.5	M349 I350 R355 R356 Y357	M349-E353 VanDerWaalsContact O-CB 3.27Å; M349-E353 WeakPolarHBondContact O-CB 3.41Å; M349-E353 PolarHBondContact O-N 2.75Å; I350-E353 PolarHBondContact O-N 2.76Å; E353-R355 PolarHBondContact O-N 3.42Å; E353-R356 WeakPolarHBondContact O-CB 3.33Å; E353-R356 PolarHBondContact O-N 3.34Å; E353-Y357 HydrophobicContact CG-CD2 3.95Å; E353-Y357 HydrophobicContact CG-CE2 3.59Å; E353-Y357 WeakPolarHBondContact O-CD2 3.5Å; E353-Y357 PolarHBondContact O-N 3.23Å
354	Q	58.4	Low	64.4	Low	123 Å²	123	104.6 Å²	104.6	58%	0.575	51%	0.514	S	S	*	.	H	α-helix	trans	-61.2	-41.6	170.9	-80.4	-153.9	-16.9	0	0	112.9	I350 L351 R356 Y357 V358	I350-Q354 WeakPolarHBondContact O-CB 3.49Å; I350-Q354 WeakPolarHBondContact O-CG 3.35Å; I350-Q354 PolarHBondContact O-N 2.68Å; L351-Q354 PolarHBondContact O-N 2.89Å; Q354-R356 VanDerWaalsContact C-N 3.29Å; Q354-R356 PolarHBondContact O-N 2.83Å; Q354-Y357 PolarHBondContact O-N 3.48Å; Q354-V358 WeakPolarHBondContact O-CG2 3.3Å; Q354-V358 PolarHBondContact O-N 3.3Å
355	R	65.7	Low	64.3	Low	189 Å²	189	105.6 Å²	105.6	71%	0.713	52%	0.518	S	S	*	.	H	α-helix	trans	-60.2	-42	174.3	-84.6	-177.4	-178.3	168	1.4	111.4	L351 D352 E353 V358 S359	L351-R355 PolarHBondContact O-N 2.88Å; D352-R355 WeakPolarHBondContact O-CB 3.21Å; D352-R355 PolarHBondContact O-N 2.81Å; E353-R355 PolarHBondContact O-N 3.42Å; R355-V358 PolarHBondContact O-N 3.49Å; R355-S359 WeakPolarHBondContact O-CB 3.32Å; R355-S359 PolarHBondContact O-N 2.95Å
356	R	63.9	Low	64.1	Low	188 Å²	188	101.4 Å²	101.4	71%	0.709	51%	0.514	S	S	*	.	H	α-helix	trans	-63.2	-42.8	177	-157.1	176.2	-170.4	139	1	111.3	D352 E353 Q354 S359 V360	D352-R356 WeakPolarHBondContact O-CB 3.3Å; D352-R356 PolarHBondContact O-N 2.81Å; E353-R356 WeakPolarHBondContact O-CB 3.33Å; E353-R356 PolarHBondContact O-N 3.34Å; Q354-R356 VanDerWaalsContact C-N 3.29Å; Q354-R356 PolarHBondContact O-N 2.83Å; R356-S359 WeakPolarHBondContact O-CB 3.16Å; R356-S359 PolarHBondContact O-N 3.39Å; R356-V360 WeakPolarHBondContact O-CG2 3.46Å; R356-V360 PolarHBondContact O-N 3.48Å
357	Y	61.7	Low	63.9	Low	128 Å²	128	104.4 Å²	104.4	50%	0.502	53%	0.526	S	S	.	.	H	α-helix	trans	-62.9	-45.8	174.1	-81.6	-65.7	0	0	0	112.9	E353 Q354 S359 V360 I361	E353-Y357 HydrophobicContact CG-CD2 3.95Å; E353-Y357 HydrophobicContact CG-CE2 3.59Å; E353-Y357 WeakPolarHBondContact O-CD2 3.5Å; E353-Y357 PolarHBondContact O-N 3.23Å; Q354-Y357 PolarHBondContact O-N 3.48Å; Y357-S359 VanDerWaalsContact C-N 3.27Å; Y357-S359 PolarHBondContact O-N 3.44Å; Y357-V360 PolarHBondContact O-N 2.98Å; Y357-I361 WeakPolarHBondContact O-CG1 3.1Å; Y357-I361 PolarHBondContact O-N 3.24Å
358	V	66.1	Low	63.8	Low	90 Å²	90	106.6 Å²	106.6	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-61.4	-38.2	176.3	171.2	0	0	0	0	110.8	Q354 R355 T362	Q354-V358 WeakPolarHBondContact O-CG2 3.3Å; Q354-V358 PolarHBondContact O-N 3.3Å; R355-V358 PolarHBondContact O-N 3.49Å; V358-T362 WeakPolarHBondContact O-CB 3.28Å; V358-T362 PolarHBondContact O-N 2.76Å; V358-T362 PolarHBondContact O-OG1 3.38Å
359	S	67	Low	63.4	Low	76 Å²	76	107.1 Å²	107.1	53%	0.531	54%	0.544	S	S	.	.	H	α-helix	trans	-64.2	-44.2	174.9	-174.1	0	0	0	0	112.2	R355 R356 Y357 T362 D363	R355-S359 WeakPolarHBondContact O-CB 3.32Å; R355-S359 PolarHBondContact O-N 2.95Å; R356-S359 WeakPolarHBondContact O-CB 3.16Å; R356-S359 PolarHBondContact O-N 3.39Å; Y357-S359 VanDerWaalsContact C-N 3.27Å; Y357-S359 PolarHBondContact O-N 3.44Å; S359-T362 PolarHBondContact O-N 3.38Å; S359-D363 WeakPolarHBondContact O-CB 3.47Å; S359-D363 PolarHBondContact O-N 3.31Å
360	V	70.6	Confident	62.7	Low	81 Å²	81	107.5 Å²	107.5	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-65.2	-43.4	178.2	171.9	0	0	0	0	111.1	R356 Y357 T362 D363 E364	R356-V360 WeakPolarHBondContact O-CG2 3.46Å; R356-V360 PolarHBondContact O-N 3.48Å; Y357-V360 PolarHBondContact O-N 2.98Å; V360-T362 VanDerWaalsContact C-N 3.34Å; V360-T362 PolarHBondContact O-N 3.01Å; V360-D363 PolarHBondContact O-N 3.26Å; V360-E364 PolarHBondContact O-N 3.16Å
361	I	66.3	Low	61.5	Low	89 Å²	89	107.7 Å²	107.7	46%	0.456	56%	0.561	S	S	.	*	H	α-helix	trans	-64.1	-41.8	176.6	-68.8	168.8	0	0	0	110.5	Y357 D363 E364 I365	Y357-I361 WeakPolarHBondContact O-CG1 3.1Å; Y357-I361 PolarHBondContact O-N 3.24Å; I361-D363 VanDerWaalsContact C-N 3.35Å; I361-E364 PolarHBondContact O-N 3.44Å; I361-I365 HydrophobicContact CG2-CD1 3.61Å; I361-I365 HydrophobicContact CG2-CG1 4.29Å; I361-I365 WeakPolarHBondContact O-CB 3.35Å; I361-I365 WeakPolarHBondContact O-CG1 3.29Å; I361-I365 PolarHBondContact O-N 2.98Å
362	T	70.7	Confident	60.9	Low	74 Å²	74	108.5 Å²	108.5	45%	0.454	58%	0.582	S	S	.	*	H	α-helix	trans	-65.8	-38.6	178.3	-60.3	0	0	0	0	111.3	V358 S359 V360 S366	V358-T362 WeakPolarHBondContact O-CB 3.28Å; V358-T362 PolarHBondContact O-N 2.76Å; V358-T362 PolarHBondContact O-OG1 3.38Å; S359-T362 PolarHBondContact O-N 3.38Å; V360-T362 VanDerWaalsContact C-N 3.34Å; V360-T362 PolarHBondContact O-N 3.01Å; T362-S366 VanDerWaalsContact O-CB 3.3Å; T362-S366 WeakPolarHBondContact O-CB 3.18Å; T362-S366 PolarHBondContact O-N 3.46Å; T362-S366 PolarHBondContact O-OG 2.92Å
363	D	65.9	Low	59.7	Low	83 Å²	83	107.3 Å²	107.3	44%	0.444	59%	0.593	S	S	.	*	H	α-helix	trans	-70.4	-37.7	176.6	-162.3	49.3	0	0	0	111.8	S359 V360 I361 S366 K367	S359-D363 WeakPolarHBondContact O-CB 3.47Å; S359-D363 PolarHBondContact O-N 3.31Å; V360-D363 PolarHBondContact O-N 3.26Å; I361-D363 VanDerWaalsContact C-N 3.35Å; D363-S366 PolarHBondContact O-N 2.96Å; D363-K367 WeakPolarHBondContact O-CB 3.2Å; D363-K367 WeakPolarHBondContact O-CG 3.39Å; D363-K367 PolarHBondContact O-N 2.6Å; D363-K367 IonicContact OD2-NZ 3.14Å; D363-K367 PolarHBondContact OD2-NZ 3.48Å
364	E	62.4	Low	58.6	Low	108 Å²	108	108.3 Å²	108.3	51%	0.505	61%	0.612	S	S	.	*	H	α-helix	trans	-68.7	-40.4	172.8	-81.7	-166.8	148.9	0	0	113.1	V360 I361 S366 K367 K368	V360-E364 PolarHBondContact O-N 3.16Å; I361-E364 PolarHBondContact O-N 3.44Å; E364-S366 VanDerWaalsContact C-N 3.32Å; E364-K367 PolarHBondContact O-N 2.9Å; E364-K368 PolarHBondContact O-N 3.4Å
365	I	63.3	Low	58.1	Low	116 Å²	116	106 Å²	106	60%	0.595	62%	0.621	S	S	*	*	H	α-helix	trans	-63.8	-41	173.9	-70.2	168.4	0	0	0	110	I361 K367 K368 G369	I361-I365 HydrophobicContact CG2-CD1 3.61Å; I361-I365 HydrophobicContact CG2-CG1 4.29Å; I361-I365 WeakPolarHBondContact O-CB 3.35Å; I361-I365 WeakPolarHBondContact O-CG1 3.29Å; I361-I365 PolarHBondContact O-N 2.98Å; I365-K367 VanDerWaalsContact C-N 3.35Å; I365-K367 PolarHBondContact O-N 3.13Å; I365-K368 PolarHBondContact O-N 2.96Å; I365-G369 PolarHBondContact O-N 2.89Å; I365-G369 VanDerWaalsContact O-N 3.09Å
366	S	61.1	Low	57.2	Low	76 Å²	76	102.9 Å²	102.9	53%	0.531	61%	0.614	S	S	.	*	H	α-helix	trans	-64.3	-38.5	176.2	-60.2	0	0	0	0	111.8	T362 D363 E364 G369	T362-S366 VanDerWaalsContact O-CB 3.3Å; T362-S366 WeakPolarHBondContact O-CB 3.18Å; T362-S366 PolarHBondContact O-N 3.46Å; T362-S366 PolarHBondContact O-OG 2.92Å; D363-S366 PolarHBondContact O-N 2.96Å; E364-S366 VanDerWaalsContact C-N 3.32Å; S366-G369 PolarHBondContact O-N 3.23Å
367	K	59.8	Low	56.3	Low	128 Å²	128	101.7 Å²	101.7	56%	0.557	62%	0.621	S	S	*	*	H	α-helix	trans	-68.5	-33.1	173.9	-78	166.6	176.8	153.7	0	113.2	D363 E364 I365 G369 T370	D363-K367 WeakPolarHBondContact O-CB 3.2Å; D363-K367 WeakPolarHBondContact O-CG 3.39Å; D363-K367 PolarHBondContact O-N 2.6Å; D363-K367 IonicContact OD2-NZ 3.14Å; D363-K367 PolarHBondContact OD2-NZ 3.48Å; E364-K367 PolarHBondContact O-N 2.9Å; I365-K367 VanDerWaalsContact C-N 3.35Å; I365-K367 PolarHBondContact O-N 3.13Å; K367-G369 VanDerWaalsContact C-N 3.34Å; K367-T370 PolarHBondContact O-OG1 2.9Å; K367-T370 VanDerWaalsContact O-OG1 3.11Å
368	K	55	Low	55.6	Low	129 Å²	129	102.2 Å²	102.2	56%	0.561	63%	0.633	S	S	*	*	H	α-helix	trans	-76	-18.9	175.9	-120.4	174.7	-177.9	172.8	0	113.5	E364 I365 T370	E364-K368 PolarHBondContact O-N 3.4Å; I365-K368 PolarHBondContact O-N 2.96Å; K368-T370 PolarHBondContact O-N 3.35Å
369	G	50	Low	54.7	Low	68 Å²	68	99 Å²	99	70%	0.701	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-13.3	173.6	0	0	0	0	0	114.9	I365 S366 K367	I365-G369 PolarHBondContact O-N 2.89Å; I365-G369 VanDerWaalsContact O-N 3.09Å; S366-G369 PolarHBondContact O-N 3.23Å; K367-G369 VanDerWaalsContact C-N 3.34Å
370	T	48.7	Very low	53.8	Low	127 Å²	127	98.2 Å²	98.2	78%	0.779	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	4.9	-176.8	39.1	0	0	0	0	115.6	K367 K368	K367-T370 PolarHBondContact O-OG1 2.9Å; K367-T370 VanDerWaalsContact O-OG1 3.11Å; K368-T370 PolarHBondContact O-N 3.35Å
371	S	43.2	Very low	52.9	Low	83 Å²	83	97.7 Å²	97.7	58%	0.58	61%	0.612	S	S	*	*			trans	-145.7	89.6	178.7	58.4	0	0	0	0	112.3	G373	S371-G373 PolarHBondContact O-N 3.16Å
372	A	46.6	Very low	52.3	Low	118 Å²	118	100.4 Å²	100.4	98%	0.975	62%	0.623	S	S	*	*			trans	-74.6	107.6	161.7	0	0	0	0	0	108.9
373	G	37.5	Very low	51.5	Low	72 Å²	72	101.3 Å²	101.3	74%	0.742	62%	0.622	S	S	*	*			trans	-158	117.1	176.6	0	0	0	0	0	110.7	S371	S371-G373 PolarHBondContact O-N 3.16Å
374	S	45.7	Very low	50.8	Low	129 Å²	129	102.4 Å²	102.4	90%	0.902	63%	0.627	S	S	*	*			trans	-57.2	133	-174.3	51.7	0	0	0	0	114.9
375	G	49.9	Very low	50.5	Low	74 Å²	74	100.5 Å²	100.5	76%	0.763	63%	0.626	S	S	*	*			trans	133.3	84.4	158.2	0	0	0	0	0	113.8
376	Q	44.9	Very low	50.1	Low	124 Å²	124	98.2 Å²	98.2	58%	0.579	62%	0.62	S	S	*	*			trans	-159.3	87.9	169.3	-109.3	-178.7	-11.3	0	0	111	S379	Q376-S379 VanDerWaalsContact CG-CB 3.47Å; Q376-S379 PolarHBondContact NE2-OG 3.32Å
377	L	45.5	Very low	49.9	Very low	163 Å²	163	98.1 Å²	98.1	85%	0.853	62%	0.616	S	S	*	*	S	Bend	trans	-99.5	-20.4	161.5	-98.3	146.8	0	0	0	111.6
378	D	46.4	Very low	50.1	Low	139 Å²	139	95.7 Å²	95.7	74%	0.743	61%	0.608	S	S	*	*	H	α-helix	trans	-85.1	-24.1	179.9	-68.6	-30.1	0	0	0	114.4
379	S	48.5	Very low	50.5	Low	23 Å²	23	91.9 Å²	91.9	16%	0.161	60%	0.601	C	S	.	*	H	α-helix	trans	-75	-33	179.6	164.9	0	0	0	0	113.4	Q376 S381 Q382 Q383	Q376-S379 VanDerWaalsContact CG-CB 3.47Å; Q376-S379 PolarHBondContact NE2-OG 3.32Å; S379-S381 VanDerWaalsContact C-N 3.31Å; S379-S381 PolarHBondContact O-N 3.46Å; S379-Q382 PolarHBondContact O-N 3.23Å; S379-Q383 WeakPolarHBondContact O-CG 3.44Å; S379-Q383 PolarHBondContact O-N 3.48Å
380	A	47.8	Very low	50.9	Low	58 Å²	58	91.6 Å²	91.6	48%	0.479	59%	0.586	S	S	.	*	H	α-helix	trans	-68.1	-33.4	178.9	0	0	0	0	0	111.6	L384	A380-L384 VanDerWaalsContact O-CB 3.3Å; A380-L384 WeakPolarHBondContact O-CB 3.2Å; A380-L384 PolarHBondContact O-N 3.48Å
381	S	52.4	Low	51.3	Low	70 Å²	70	91.3 Å²	91.3	49%	0.49	58%	0.576	S	S	.	*	H	α-helix	trans	-66.4	-42.7	175.8	179.9	0	0	0	0	112.4	S379 L384 S385	S379-S381 VanDerWaalsContact C-N 3.31Å; S379-S381 PolarHBondContact O-N 3.46Å; S381-L384 PolarHBondContact O-N 3.29Å; S381-S385 WeakPolarHBondContact O-CB 3.21Å; S381-S385 PolarHBondContact O-N 2.83Å; S381-S385 PolarHBondContact O-OG 2.87Å
382	Q	53.2	Low	52.3	Low	146 Å²	146	93.5 Å²	93.5	68%	0.682	58%	0.577	S	S	*	*	H	α-helix	trans	-68.4	-40	176.7	-72.4	-176.7	-22.7	0	0	112.3	S379 S385 S386	S379-Q382 PolarHBondContact O-N 3.23Å; Q382-S385 PolarHBondContact O-N 2.88Å; Q382-S386 PolarHBondContact O-N 2.74Å
383	Q	52.8	Low	53	Low	93 Å²	93	93.4 Å²	93.4	44%	0.435	56%	0.556	S	S	.	*	H	α-helix	trans	-64.4	-44.4	174.6	-74.1	-178.4	-33.3	0	0	111.5	S379 S385 S386 V387	S379-Q383 WeakPolarHBondContact O-CG 3.44Å; S379-Q383 PolarHBondContact O-N 3.48Å; Q383-S385 VanDerWaalsContact C-N 3.32Å; Q383-S385 PolarHBondContact O-N 2.74Å; Q383-S386 PolarHBondContact O-N 3.1Å; Q383-S386 PolarHBondContact O-OG 2.74Å; Q383-V387 WeakPolarHBondContact O-CG2 3.39Å; Q383-V387 PolarHBondContact O-N 3.37Å
384	L	52.9	Low	53.9	Low	107 Å²	107	94.5 Å²	94.5	56%	0.56	54%	0.544	S	S	*	.	H	α-helix	trans	-63.5	-38.6	177.2	-172.8	64.8	0	0	0	112.1	A380 S381 V387 I388	A380-L384 VanDerWaalsContact O-CB 3.3Å; A380-L384 WeakPolarHBondContact O-CB 3.2Å; A380-L384 PolarHBondContact O-N 3.48Å; S381-L384 PolarHBondContact O-N 3.29Å; L384-V387 PolarHBondContact O-N 2.84Å; L384-I388 HydrophobicContact CD1-CD1 4.39Å; L384-I388 HydrophobicContact CG-CD1 3.9Å; L384-I388 WeakPolarHBondContact O-CB 3.49Å; L384-I388 WeakPolarHBondContact O-CD1 3.15Å; L384-I388 WeakPolarHBondContact O-CG1 3.3Å; L384-I388 PolarHBondContact O-N 3.32Å
385	S	54.9	Low	54.5	Low	68 Å²	68	93.3 Å²	93.3	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-67.2	-37.7	177.1	-63.3	0	0	0	0	112.3	S381 Q382 Q383 I388 A389	S381-S385 WeakPolarHBondContact O-CB 3.21Å; S381-S385 PolarHBondContact O-N 2.83Å; S381-S385 PolarHBondContact O-OG 2.87Å; Q382-S385 PolarHBondContact O-N 2.88Å; Q383-S385 VanDerWaalsContact C-N 3.32Å; Q383-S385 PolarHBondContact O-N 2.74Å; S385-I388 PolarHBondContact O-N 3.47Å; S385-A389 WeakPolarHBondContact O-CB 3.46Å; S385-A389 PolarHBondContact O-N 3.32Å
386	S	54.7	Low	55.4	Low	67 Å²	67	97.4 Å²	97.4	47%	0.469	52%	0.52	S	S	.	.	H	α-helix	trans	-66.2	-40.7	174.1	73.1	0	0	0	0	112.2	Q382 Q383 A389 T390	Q382-S386 PolarHBondContact O-N 2.74Å; Q383-S386 PolarHBondContact O-N 3.1Å; Q383-S386 PolarHBondContact O-OG 2.74Å; S386-A389 PolarHBondContact O-N 2.83Å; S386-T390 WeakPolarHBondContact O-CG2 3.37Å; S386-T390 PolarHBondContact O-N 3Å; S386-T390 PolarHBondContact O-OG1 3.49Å; S386-T390 VanDerWaalsContact O-OG1 3.08Å
387	V	56.8	Low	56.1	Low	74 Å²	74	95.1 Å²	95.1	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-41.8	176.1	173.9	0	0	0	0	111	Q383 L384 T390 Q391	Q383-V387 WeakPolarHBondContact O-CG2 3.39Å; Q383-V387 PolarHBondContact O-N 3.37Å; L384-V387 PolarHBondContact O-N 2.84Å; V387-T390 WeakPolarHBondContact CA-OG1 3.48Å; V387-T390 PolarHBondContact O-N 3Å; V387-T390 PolarHBondContact O-OG1 3.43Å; V387-Q391 PolarHBondContact O-N 2.79Å
388	I	64.1	Low	56.7	Low	77 Å²	77	92.4 Å²	92.4	40%	0.395	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-44.1	176.2	-70.1	166.7	0	0	0	111	L384 S385 T390 Q391 Q392	L384-I388 HydrophobicContact CD1-CD1 4.39Å; L384-I388 HydrophobicContact CG-CD1 3.9Å; L384-I388 WeakPolarHBondContact O-CB 3.49Å; L384-I388 WeakPolarHBondContact O-CD1 3.15Å; L384-I388 WeakPolarHBondContact O-CG1 3.3Å; L384-I388 PolarHBondContact O-N 3.32Å; S385-I388 PolarHBondContact O-N 3.47Å; I388-T390 PolarHBondContact O-N 2.92Å; I388-Q391 PolarHBondContact O-N 3.19Å; I388-Q392 WeakPolarHBondContact O-CG 3.3Å; I388-Q392 PolarHBondContact O-N 3.09Å
389	A	63.4	Low	57.5	Low	50 Å²	50	90.2 Å²	90.2	41%	0.413	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-43.5	177.3	0	0	0	0	0	111.5	S385 S386 Q392 E393	S385-A389 WeakPolarHBondContact O-CB 3.46Å; S385-A389 PolarHBondContact O-N 3.32Å; S386-A389 PolarHBondContact O-N 2.83Å; A389-Q392 PolarHBondContact O-N 3.48Å; A389-E393 PolarHBondContact O-N 2.9Å
390	T	59.7	Low	58.1	Low	62 Å²	62	94 Å²	94	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-67.4	-35.3	176.5	54.4	0	0	0	0	113.5	S386 V387 I388 Q392 E393 L394	S386-T390 WeakPolarHBondContact O-CG2 3.37Å; S386-T390 PolarHBondContact O-N 3Å; S386-T390 PolarHBondContact O-OG1 3.49Å; S386-T390 VanDerWaalsContact O-OG1 3.08Å; V387-T390 WeakPolarHBondContact CA-OG1 3.48Å; V387-T390 PolarHBondContact O-N 3Å; V387-T390 PolarHBondContact O-OG1 3.43Å; I388-T390 PolarHBondContact O-N 2.92Å; T390-Q392 VanDerWaalsContact C-N 3.34Å; T390-E393 WeakPolarHBondContact O-CB 3.28Å; T390-E393 PolarHBondContact O-N 3.49Å; T390-L394 PolarHBondContact O-N 3.5Å
391	Q	56.3	Low	58.6	Low	121 Å²	121	95.1 Å²	95.1	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-66.9	-36.2	172.6	-81	-165.4	-10.7	0	0	112.3	V387 I388 L394 L395	V387-Q391 PolarHBondContact O-N 2.79Å; I388-Q391 PolarHBondContact O-N 3.19Å; Q391-L394 PolarHBondContact O-N 3.5Å; Q391-L395 WeakPolarHBondContact O-CB 3.44Å; Q391-L395 WeakPolarHBondContact O-CG 3.47Å; Q391-L395 PolarHBondContact O-N 2.94Å
392	Q	64.4	Low	59.1	Low	129 Å²	129	100.1 Å²	100.1	60%	0.603	51%	0.507	S	S	*	.	H	α-helix	trans	-66.8	-38.5	174.6	-74.6	175.7	-24	0	0	111.8	I388 A389 T390 L395 R396	I388-Q392 WeakPolarHBondContact O-CG 3.3Å; I388-Q392 PolarHBondContact O-N 3.09Å; A389-Q392 PolarHBondContact O-N 3.48Å; T390-Q392 VanDerWaalsContact C-N 3.34Å; Q392-L395 PolarHBondContact O-N 3.37Å; Q392-R396 WeakPolarHBondContact O-CB 3.37Å; Q392-R396 PolarHBondContact O-N 3.11Å
393	E	60.9	Low	59.6	Low	116 Å²	116	96.3 Å²	96.3	54%	0.542	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-47.2	173.7	-160.1	81.3	-156	0	0	111.3	A389 T390 L395 R396 N397	A389-E393 PolarHBondContact O-N 2.9Å; T390-E393 WeakPolarHBondContact O-CB 3.28Å; T390-E393 PolarHBondContact O-N 3.49Å; E393-L395 PolarHBondContact O-N 2.94Å; E393-R396 WeakPolarHBondContact O-CB 3.44Å; E393-R396 PolarHBondContact O-N 3.45Å; E393-R396 VanDerWaalsContact O-N 3.16Å; E393-N397 PolarHBondContact O-N 2.96Å
394	L	56.4	Low	59.9	Low	94 Å²	94	95.1 Å²	95.1	49%	0.492	50%	0.498	S	S	.	.	H	α-helix	trans	-61.2	-42.5	176.6	-82.6	165.3	0	0	0	112.3	T390 Q391 R396 N397 L398	T390-L394 PolarHBondContact O-N 3.5Å; Q391-L394 PolarHBondContact O-N 3.5Å; L394-R396 VanDerWaalsContact C-N 3.29Å; L394-R396 PolarHBondContact O-N 3.43Å; L394-N397 PolarHBondContact O-N 3.18Å; L394-L398 WeakPolarHBondContact O-CB 3.47Å; L394-L398 VanDerWaalsContact O-CG 3.28Å; L394-L398 WeakPolarHBondContact O-CG 3.18Å; L394-L398 PolarHBondContact O-N 3.3Å
395	L	59	Low	60.2	Low	104 Å²	104	95.5 Å²	95.5	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-33.9	176	-79.5	168.5	0	0	0	112.4	Q391 Q392 E393 N399	Q391-L395 WeakPolarHBondContact O-CB 3.44Å; Q391-L395 WeakPolarHBondContact O-CG 3.47Å; Q391-L395 PolarHBondContact O-N 2.94Å; Q392-L395 PolarHBondContact O-N 3.37Å; E393-L395 PolarHBondContact O-N 2.94Å; L395-N399 WeakPolarHBondContact O-CB 3.35Å; L395-N399 PolarHBondContact O-N 3.48Å; L395-N399 PolarHBondContact O-ND2 2.96Å; L395-N399 VanDerWaalsContact O-ND2 3.15Å
396	R	68.2	Low	60.4	Low	160 Å²	160	100.4 Å²	100.4	60%	0.604	51%	0.505	S	S	*	.	H	α-helix	trans	-67.9	-47.8	175.5	-172.8	177.6	174.7	152.1	-1.3	111	Q392 E393 L394 L398 N399 E400	Q392-R396 WeakPolarHBondContact O-CB 3.37Å; Q392-R396 PolarHBondContact O-N 3.11Å; E393-R396 WeakPolarHBondContact O-CB 3.44Å; E393-R396 PolarHBondContact O-N 3.45Å; E393-R396 VanDerWaalsContact O-N 3.16Å; L394-R396 VanDerWaalsContact C-N 3.29Å; L394-R396 PolarHBondContact O-N 3.43Å; R396-L398 VanDerWaalsContact C-N 3.31Å; R396-L398 PolarHBondContact O-N 2.94Å; R396-N399 PolarHBondContact O-N 3.4Å; R396-N399 VanDerWaalsContact O-N 3.11Å; R396-E400 IonicContact NE-OE1 2.9Å; R396-E400 PolarHBondContact O-N 2.93Å
397	N	59.3	Low	60.6	Low	77 Å²	77	103.9 Å²	103.9	41%	0.412	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-39.6	177.1	-69.1	-13.3	0	0	0	111.9	E393 L394 E400 L401	E393-N397 PolarHBondContact O-N 2.96Å; L394-N397 PolarHBondContact O-N 3.18Å; N397-E400 PolarHBondContact O-N 3.49Å; N397-L401 WeakPolarHBondContact O-CB 3.38Å; N397-L401 PolarHBondContact O-N 2.98Å
398	L	57.9	Low	60.4	Low	106 Å²	106	102.2 Å²	102.2	56%	0.555	51%	0.505	S	S	*	.	H	α-helix	trans	-66.2	-35.8	175.1	-73.6	174.4	0	0	0	113	L394 R396 R402	L394-L398 WeakPolarHBondContact O-CB 3.47Å; L394-L398 VanDerWaalsContact O-CG 3.28Å; L394-L398 WeakPolarHBondContact O-CG 3.18Å; L394-L398 PolarHBondContact O-N 3.3Å; R396-L398 VanDerWaalsContact C-N 3.31Å; R396-L398 PolarHBondContact O-N 2.94Å; L398-R402 WeakPolarHBondContact O-CB 3.38Å; L398-R402 PolarHBondContact O-N 3.11Å
399	N	63.4	Low	60.1	Low	92 Å²	92	102.3 Å²	102.3	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-70.6	-35.7	175.4	-82.7	-39.2	0	0	0	112.5	L395 R396 R402 S403	L395-N399 WeakPolarHBondContact O-CB 3.35Å; L395-N399 PolarHBondContact O-N 3.48Å; L395-N399 PolarHBondContact O-ND2 2.96Å; L395-N399 VanDerWaalsContact O-ND2 3.15Å; R396-N399 PolarHBondContact O-N 3.4Å; R396-N399 VanDerWaalsContact O-N 3.11Å; N399-R402 PolarHBondContact O-N 3.07Å; N399-S403 PolarHBondContact O-N 2.95Å; N399-S403 PolarHBondContact O-OG 2.96Å
400	E	62.4	Low	59.9	Low	102 Å²	102	107.7 Å²	107.7	48%	0.477	52%	0.52	S	S	.	.	H	α-helix	trans	-67.4	-40.6	173.4	-72.7	177.7	-172.1	0	0	111.6	R396 N397 R402 S403 S404	R396-E400 IonicContact NE-OE1 2.9Å; R396-E400 PolarHBondContact O-N 2.93Å; N397-E400 PolarHBondContact O-N 3.49Å; E400-R402 PolarHBondContact O-N 3.38Å; E400-S403 PolarHBondContact O-N 3.15Å; E400-S403 PolarHBondContact O-OG 3.46Å; E400-S404 WeakPolarHBondContact O-CB 3.35Å; E400-S404 PolarHBondContact O-N 3.11Å
401	L	57.3	Low	59.7	Low	83 Å²	83	110.1 Å²	110.1	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-59.3	-45.6	171.2	-113.1	162.3	0	0	0	111.5	N397 S403 S404 F405	N397-L401 WeakPolarHBondContact O-CB 3.38Å; N397-L401 PolarHBondContact O-N 2.98Å; L401-S403 PolarHBondContact O-N 2.98Å; L401-S404 PolarHBondContact O-N 3.04Å; L401-F405 WeakPolarHBondContact O-CB 3.34Å; L401-F405 PolarHBondContact O-N 3.09Å
402	R	63.2	Low	59.6	Low	175 Å²	175	108.8 Å²	108.8	66%	0.66	52%	0.523	S	S	*	.	H	α-helix	trans	-60.9	-43.9	176.1	175.6	-171.4	148.7	179	-5.2	111.8	L398 N399 E400 F405 Y406	L398-R402 WeakPolarHBondContact O-CB 3.38Å; L398-R402 PolarHBondContact O-N 3.11Å; N399-R402 PolarHBondContact O-N 3.07Å; E400-R402 PolarHBondContact O-N 3.38Å; R402-F405 PolarHBondContact O-N 2.93Å; R402-Y406 WeakPolarHBondContact O-CB 3.49Å; R402-Y406 PolarHBondContact O-N 2.99Å
403	S	62.8	Low	59	Low	66 Å²	66	105.2 Å²	105.2	46%	0.462	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-41.6	180	62.1	0	0	0	0	111.7	N399 E400 L401 F405 Y406 E407	N399-S403 PolarHBondContact O-N 2.95Å; N399-S403 PolarHBondContact O-OG 2.96Å; E400-S403 PolarHBondContact O-N 3.15Å; E400-S403 PolarHBondContact O-OG 3.46Å; L401-S403 PolarHBondContact O-N 2.98Å; S403-F405 VanDerWaalsContact C-N 3.33Å; S403-F405 PolarHBondContact O-N 3.39Å; S403-Y406 PolarHBondContact O-N 3.23Å; S403-E407 PolarHBondContact O-N 2.95Å
404	S	59	Low	58.4	Low	68 Å²	68	103.7 Å²	103.7	48%	0.476	52%	0.523	S	S	.	.	H	α-helix	trans	-61.1	-41.4	175.9	-177.7	0	0	0	0	112	E400 L401 Y406 E407 S408	E400-S404 WeakPolarHBondContact O-CB 3.35Å; E400-S404 PolarHBondContact O-N 3.11Å; L401-S404 PolarHBondContact O-N 3.04Å; S404-Y406 PolarHBondContact O-N 2.97Å; S404-E407 PolarHBondContact O-N 3.45Å; S404-S408 WeakPolarHBondContact O-CB 3.45Å; S404-S408 PolarHBondContact O-N 3.43Å; S404-S408 PolarHBondContact O-OG 3.41Å
405	F	59.7	Low	58	Low	115 Å²	115	105 Å²	105	50%	0.504	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-40.7	174.5	-172.4	-102.8	0	0	0	112.4	L401 R402 S403 S408 L409	L401-F405 WeakPolarHBondContact O-CB 3.34Å; L401-F405 PolarHBondContact O-N 3.09Å; R402-F405 PolarHBondContact O-N 2.93Å; S403-F405 VanDerWaalsContact C-N 3.33Å; S403-F405 PolarHBondContact O-N 3.39Å; F405-S408 PolarHBondContact O-N 3.07Å; F405-L409 HydrophobicContact CD1-CD1 3.8Å; F405-L409 HydrophobicContact CE1-CD1 3.33Å; F405-L409 HydrophobicContact CE1-CG 4.37Å; F405-L409 HydrophobicContact CZ-CD1 3.92Å; F405-L409 PolarHBondContact O-N 3.24Å
406	Y	59	Low	57.4	Low	170 Å²	170	107.9 Å²	107.9	67%	0.667	55%	0.545	S	S	*	.	H	α-helix	trans	-69.6	-37.7	-179.9	-148.2	-90	0	0	0	112.7	R402 S403 S404 K410	R402-Y406 WeakPolarHBondContact O-CB 3.49Å; R402-Y406 PolarHBondContact O-N 2.99Å; S403-Y406 PolarHBondContact O-N 3.23Å; S404-Y406 PolarHBondContact O-N 2.97Å; Y406-K410 WeakPolarHBondContact O-CB 3.46Å; Y406-K410 PolarHBondContact O-N 3.41Å; Y406-K410 VanDerWaalsContact O-N 3.1Å
407	E	59.3	Low	56.2	Low	140 Å²	140	109.1 Å²	109.1	65%	0.654	56%	0.558	S	S	*	*	H	α-helix	trans	-65.9	-39.4	173.1	-76.6	-166.5	151.4	0	0	112	S403 S404 K410 Q411	S403-E407 PolarHBondContact O-N 2.95Å; S404-E407 PolarHBondContact O-N 3.45Å; E407-K410 WeakPolarHBondContact O-CB 3.34Å; E407-K410 PolarHBondContact O-N 3Å; E407-Q411 PolarHBondContact O-N 3.38Å
408	S	53.5	Low	55.3	Low	39 Å²	39	114.7 Å²	114.7	27%	0.273	58%	0.581	S	S	.	*	H	α-helix	trans	-65.3	-42.8	177.1	-61.3	0	0	0	0	112.2	S404 F405 K410 Q411 I412	S404-S408 WeakPolarHBondContact O-CB 3.45Å; S404-S408 PolarHBondContact O-N 3.43Å; S404-S408 PolarHBondContact O-OG 3.41Å; F405-S408 PolarHBondContact O-N 3.07Å; S408-K410 VanDerWaalsContact C-N 3.3Å; S408-K410 PolarHBondContact O-N 2.77Å; S408-Q411 PolarHBondContact O-N 3.14Å; S408-I412 WeakPolarHBondContact O-CG1 3.38Å; S408-I412 PolarHBondContact O-N 3.24Å
409	L	56.3	Low	54.1	Low	80 Å²	80	113.2 Å²	113.2	42%	0.419	59%	0.592	S	S	.	*	H	α-helix	trans	-61	-37.6	172.7	-96.7	163.2	0	0	0	112.6	F405 I412 G413	F405-L409 HydrophobicContact CD1-CD1 3.8Å; F405-L409 HydrophobicContact CE1-CD1 3.33Å; F405-L409 HydrophobicContact CE1-CG 4.37Å; F405-L409 HydrophobicContact CZ-CD1 3.92Å; F405-L409 PolarHBondContact O-N 3.24Å; L409-I412 PolarHBondContact O-N 3.1Å; L409-G413 PolarHBondContact O-N 3.34Å; L409-G413 VanDerWaalsContact O-N 3.11Å
410	K	60.8	Low	52.8	Low	163 Å²	163	116.9 Å²	116.9	71%	0.709	61%	0.611	S	S	*	*	H	α-helix	trans	-69	-36.7	177.6	-168	179.8	178.1	-174.2	0	111.9	Y406 E407 S408 G413 S414	Y406-K410 WeakPolarHBondContact O-CB 3.46Å; Y406-K410 PolarHBondContact O-N 3.41Å; Y406-K410 VanDerWaalsContact O-N 3.1Å; E407-K410 WeakPolarHBondContact O-CB 3.34Å; E407-K410 PolarHBondContact O-N 3Å; S408-K410 VanDerWaalsContact C-N 3.3Å; S408-K410 PolarHBondContact O-N 2.77Å; K410-G413 PolarHBondContact O-N 3.26Å; K410-S414 PolarHBondContact O-N 3.41Å
411	Q	54.2	Low	51.8	Low	112 Å²	112	116.8 Å²	116.8	52%	0.523	63%	0.628	S	S	.	*	H	α-helix	trans	-65.5	-41.6	173.6	-81.5	-177.2	-13.9	0	0	111.9	E407 S408 G413 S414	E407-Q411 PolarHBondContact O-N 3.38Å; S408-Q411 PolarHBondContact O-N 3.14Å; Q411-G413 VanDerWaalsContact C-N 3.31Å; Q411-G413 PolarHBondContact O-N 3.07Å; Q411-S414 PolarHBondContact O-N 2.98Å; Q411-S414 VanDerWaalsContact O-N 3.14Å; Q411-S414 PolarHBondContact O-OG 3.11Å
412	I	54.3	Low	50.7	Low	93 Å²	93	116.8 Å²	116.8	48%	0.477	65%	0.648	S	S	.	*	H	α-helix	trans	-61.6	-39.3	175.9	-65.9	164.1	0	0	0	111.1	S408 L409 S414	S408-I412 WeakPolarHBondContact O-CG1 3.38Å; S408-I412 PolarHBondContact O-N 3.24Å; L409-I412 PolarHBondContact O-N 3.1Å; I412-S414 VanDerWaalsContact C-N 3.31Å; I412-S414 PolarHBondContact O-N 3.03Å
413	G	52.2	Low	49.3	Very low	55 Å²	55	111.9 Å²	111.9	57%	0.567	65%	0.652	S	S	*	*	H	α-helix	trans	-69	-22.7	175.9	0	0	0	0	0	115.1	L409 K410 Q411	L409-G413 PolarHBondContact O-N 3.34Å; L409-G413 VanDerWaalsContact O-N 3.11Å; K410-G413 PolarHBondContact O-N 3.26Å; Q411-G413 VanDerWaalsContact C-N 3.31Å; Q411-G413 PolarHBondContact O-N 3.07Å
414	S	48.3	Very low	48.2	Very low	84 Å²	84	114.2 Å²	114.2	59%	0.587	68%	0.675	S	S	*	*	H	α-helix	trans	-84.1	-11.8	-177.5	65.7	0	0	0	0	114.9	K410 Q411 I412 Q416	K410-S414 PolarHBondContact O-N 3.41Å; Q411-S414 PolarHBondContact O-N 2.98Å; Q411-S414 VanDerWaalsContact O-N 3.14Å; Q411-S414 PolarHBondContact O-OG 3.11Å; I412-S414 VanDerWaalsContact C-N 3.31Å; I412-S414 PolarHBondContact O-N 3.03Å; S414-Q416 PolarHBondContact O-N 3.4Å
415	V	47.7	Very low	47.5	Very low	122 Å²	122	113.4 Å²	113.4	74%	0.739	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-75.1	-11.4	179.7	179.1	0	0	0	0	112.3
416	Q	47.5	Very low	46.8	Very low	163 Å²	163	112.2 Å²	112.2	76%	0.762	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-98.8	14.4	-170.4	-150.4	159.7	0.6	0	0	115.1	S414	S414-Q416 PolarHBondContact O-N 3.4Å
417	H	41.4	Very low	46.2	Very low	186 Å²	186	113.2 Å²	113.2	86%	0.861	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-115.3	14.1	178.6	-96.6	23.6	0	0	0	116.1
418	Q	40.4	Very low	45.4	Very low	194 Å²	194	114 Å²	114	91%	0.907	69%	0.687	S	S	*	*	S	Bend	trans	-133.7	83.1	163.6	-93.4	-177.8	-8.6	0	0	110
419	G	34.5	Very low	45.4	Very low	75 Å²	75	116.3 Å²	116.3	77%	0.773	70%	0.7	S	S	*	*			trans	-173.9	109.7	174.8	0	0	0	0	0	110.1
420	N	35.3	Very low	45.2	Very low	170 Å²	170	116.8 Å²	116.8	91%	0.909	70%	0.702	S	S	*	*			trans	-64	154.7	-170.1	-156	25.8	0	0	0	113.2
421	A	41.9	Very low	44.6	Very low	100 Å²	100	114.8 Å²	114.8	83%	0.826	70%	0.695	S	S	*	*			trans	-62.1	136.9	-173.5	0	0	0	0	0	115.3
422	G	33.5	Very low	44.3	Very low	82 Å²	82	115.6 Å²	115.6	85%	0.845	70%	0.699	S	S	*	*			trans	161.4	122.4	157.9	0	0	0	0	0	115.2
423	G	34.9	Very low	44.2	Very low	72 Å²	72	117.4 Å²	117.4	74%	0.742	70%	0.703	S	S	*	*			trans	106.6	91	150.1	0	0	0	0	0	118.6	G425	G423-G425 PolarHBondContact O-N 2.93Å
424	A	38	Very low	44.2	Very low	115 Å²	115	118.8 Å²	118.8	95%	0.95	70%	0.698	S	S	*	*	S	Bend	trans	21.7	67.2	141.5	0	0	0	0	0	120
425	G	43.9	Very low	44.3	Very low	51 Å²	51	118.5 Å²	118.5	53%	0.526	69%	0.69	S	S	.	*			trans	-159.2	2.6	163.1	0	0	0	0	0	113.6	G423 Y427	G423-G425 PolarHBondContact O-N 2.93Å; G425-Y427 PolarHBondContact O-N 3.37Å
426	T	47	Very low	44.9	Very low	90 Å²	90	117.1 Å²	117.1	55%	0.552	68%	0.677	S	S	*	*	H	α-helix	trans	-79.7	-19.3	-165.3	41.2	0	0	0	0	114.2	I430	T426-I430 WeakPolarHBondContact O-CB 3.4Å; T426-I430 WeakPolarHBondContact O-CD1 3.46Å; T426-I430 WeakPolarHBondContact O-CG1 3.25Å; T426-I430 PolarHBondContact O-N 2.91Å
427	Y	44.8	Very low	45.4	Very low	191 Å²	191	115.1 Å²	115.1	75%	0.749	67%	0.666	S	S	*	*	H	α-helix	trans	-74.1	-40.5	-174.2	-95.3	-88.8	0	0	0	114	G425 Q431	G425-Y427 PolarHBondContact O-N 3.37Å; Y427-Q431 PolarHBondContact O-N 2.97Å; Y427-Q431 VanDerWaalsContact O-N 3.14Å
428	E	43.8	Very low	46.1	Very low	158 Å²	158	112.4 Å²	112.4	74%	0.738	65%	0.653	S	S	*	*	H	α-helix	trans	-70.6	-38.2	179.2	-95.2	-179.4	155.5	0	0	112.7	Q431 H432	E428-Q431 PolarHBondContact O-N 3.49Å; E428-H432 PolarHBondContact O-N 3.43Å; E428-H432 VanDerWaalsContact O-N 3.09Å
429	T	52.3	Low	46.9	Very low	86 Å²	86	108.2 Å²	108.2	53%	0.528	64%	0.637	S	S	.	*	H	α-helix	trans	-69.5	-37.1	178.3	-50.7	0	0	0	0	111.6	Q431 F433	T429-Q431 VanDerWaalsContact C-N 3.31Å; T429-Q431 PolarHBondContact O-N 3.35Å; T429-F433 HydrophobicContact CG2-CD2 4.28Å; T429-F433 HydrophobicContact CG2-CE2 4.45Å; T429-F433 WeakPolarHBondContact O-CD2 3.48Å; T429-F433 PolarHBondContact O-N 3.42Å; T429-F433 VanDerWaalsContact O-N 3.16Å
430	I	52.4	Low	47.8	Very low	91 Å²	91	108.8 Å²	108.8	47%	0.467	62%	0.622	S	S	.	*	H	α-helix	trans	-66.4	-35.2	174.9	-72.1	167	0	0	0	111.1	T426 F433 N434	T426-I430 WeakPolarHBondContact O-CB 3.4Å; T426-I430 WeakPolarHBondContact O-CD1 3.46Å; T426-I430 WeakPolarHBondContact O-CG1 3.25Å; T426-I430 PolarHBondContact O-N 2.91Å; I430-F433 PolarHBondContact O-N 3.38Å; I430-N434 PolarHBondContact O-N 3.42Å; I430-N434 PolarHBondContact O-ND2 3.43Å; I430-N434 VanDerWaalsContact O-ND2 3.12Å
431	Q	48.7	Very low	48.8	Very low	121 Å²	121	105.2 Å²	105.2	57%	0.565	60%	0.6	S	S	*	*	H	α-helix	trans	-68.9	-45.1	178.8	-139.4	165	-16	0	0	111.5	Y427 E428 T429 F433 N434 D435	Y427-Q431 PolarHBondContact O-N 2.97Å; Y427-Q431 VanDerWaalsContact O-N 3.14Å; E428-Q431 PolarHBondContact O-N 3.49Å; T429-Q431 VanDerWaalsContact C-N 3.31Å; T429-Q431 PolarHBondContact O-N 3.35Å; Q431-F433 VanDerWaalsContact C-N 3.31Å; Q431-F433 PolarHBondContact O-N 2.97Å; Q431-N434 PolarHBondContact O-N 3.45Å; Q431-N434 VanDerWaalsContact O-N 3.14Å; Q431-D435 PolarHBondContact O-N 3.29Å
432	H	48.1	Very low	49.5	Very low	129 Å²	129	103.4 Å²	103.4	60%	0.597	58%	0.579	S	S	*	*	H	α-helix	trans	-59.6	-38.4	174.1	-95.2	-69.1	0	0	0	113.4	E428 D435 I436	E428-H432 PolarHBondContact O-N 3.43Å; E428-H432 VanDerWaalsContact O-N 3.09Å; H432-D435 PolarHBondContact O-N 2.98Å; H432-I436 WeakPolarHBondContact O-CD1 3.44Å; H432-I436 VanDerWaalsContact O-CG1 3.24Å; H432-I436 WeakPolarHBondContact O-CG1 3.27Å; H432-I436 PolarHBondContact O-N 3.28Å
433	F	51.8	Low	50.5	Low	130 Å²	130	103.8 Å²	103.8	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-69.9	-35.3	176	-98	-83.9	0	0	0	113	T429 I430 Q431 K437	T429-F433 HydrophobicContact CG2-CD2 4.28Å; T429-F433 HydrophobicContact CG2-CE2 4.45Å; T429-F433 WeakPolarHBondContact O-CD2 3.48Å; T429-F433 PolarHBondContact O-N 3.42Å; T429-F433 VanDerWaalsContact O-N 3.16Å; I430-F433 PolarHBondContact O-N 3.38Å; Q431-F433 VanDerWaalsContact C-N 3.31Å; Q431-F433 PolarHBondContact O-N 2.97Å; F433-K437 VanDerWaalsContact O-CB 3.28Å; F433-K437 WeakPolarHBondContact O-CB 3.28Å; F433-K437 PolarHBondContact O-N 3.49Å
434	N	52.8	Low	51.6	Low	85 Å²	85	105.8 Å²	105.8	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-68.4	-39.6	174.5	-75.6	-36.9	0	0	0	111.6	I430 Q431 K437 E438	I430-N434 PolarHBondContact O-N 3.42Å; I430-N434 PolarHBondContact O-ND2 3.43Å; I430-N434 VanDerWaalsContact O-ND2 3.12Å; Q431-N434 PolarHBondContact O-N 3.45Å; Q431-N434 VanDerWaalsContact O-N 3.14Å; N434-K437 WeakPolarHBondContact O-CB 3.46Å; N434-K437 PolarHBondContact O-N 3.16Å; N434-E438 WeakPolarHBondContact O-CB 3.47Å; N434-E438 PolarHBondContact O-N 3.31Å
435	D	50.7	Low	52.7	Low	78 Å²	78	107.4 Å²	107.4	42%	0.417	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-41.3	176	-70.4	-9.5	0	0	0	111.7	Q431 H432 K437 E438 N439	Q431-D435 PolarHBondContact O-N 3.29Å; H432-D435 PolarHBondContact O-N 2.98Å; D435-K437 VanDerWaalsContact C-N 3.35Å; D435-E438 PolarHBondContact O-N 3.41Å; D435-N439 WeakPolarHBondContact O-CB 3.24Å; D435-N439 VanDerWaalsContact O-CG 3.3Å; D435-N439 PolarHBondContact O-N 3.04Å; D435-N439 PolarHBondContact O-ND2 3.48Å
436	I	59.5	Low	53	Low	93 Å²	93	109.3 Å²	109.3	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-62.9	-43.8	174.4	-70.5	166.2	0	0	0	110.4	H432 E438 N439 L440	H432-I436 WeakPolarHBondContact O-CD1 3.44Å; H432-I436 VanDerWaalsContact O-CG1 3.24Å; H432-I436 WeakPolarHBondContact O-CG1 3.27Å; H432-I436 PolarHBondContact O-N 3.28Å; I436-E438 VanDerWaalsContact C-N 3.33Å; I436-E438 PolarHBondContact O-N 3.31Å; I436-N439 PolarHBondContact O-N 3.48Å; I436-L440 WeakPolarHBondContact O-CB 3.48Å; I436-L440 PolarHBondContact O-N 3.14Å
437	K	58	Low	53.4	Low	120 Å²	120	108.8 Å²	108.8	52%	0.522	53%	0.529	S	S	.	.	H	α-helix	trans	-61.2	-41	176.5	179	-177.9	175.4	-174.4	0	111.8	F433 N434 D435 L440 H441	F433-K437 VanDerWaalsContact O-CB 3.28Å; F433-K437 WeakPolarHBondContact O-CB 3.28Å; F433-K437 PolarHBondContact O-N 3.49Å; N434-K437 WeakPolarHBondContact O-CB 3.46Å; N434-K437 PolarHBondContact O-N 3.16Å; D435-K437 VanDerWaalsContact C-N 3.35Å; K437-L440 PolarHBondContact O-N 3.3Å; K437-H441 PolarHBondContact O-CD2 2.97Å; K437-H441 PolarHBondContact O-N 2.96Å
438	E	57	Low	53.7	Low	130 Å²	130	104.3 Å²	104.3	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-68.8	-40.7	179.4	-166.1	165.3	-164.6	0	0	112.2	N434 D435 I436 L440 H441 T442	N434-E438 WeakPolarHBondContact O-CB 3.47Å; N434-E438 PolarHBondContact O-N 3.31Å; D435-E438 PolarHBondContact O-N 3.41Å; I436-E438 VanDerWaalsContact C-N 3.33Å; I436-E438 PolarHBondContact O-N 3.31Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 2.99Å; E438-H441 PolarHBondContact O-N 3.09Å; E438-T442 PolarHBondContact O-N 3.19Å; E438-T442 PolarHBondContact O-OG1 3.34Å
439	N	55.6	Low	54	Low	106 Å²	106	102.6 Å²	102.6	57%	0.567	51%	0.506	S	S	*	.	H	α-helix	trans	-63.3	-39.5	172.5	-72.6	-41.6	0	0	0	111.8	D435 I436 H441 T442 V443	D435-N439 WeakPolarHBondContact O-CB 3.24Å; D435-N439 VanDerWaalsContact O-CG 3.3Å; D435-N439 PolarHBondContact O-N 3.04Å; D435-N439 PolarHBondContact O-ND2 3.48Å; I436-N439 PolarHBondContact O-N 3.48Å; N439-H441 PolarHBondContact O-N 3Å; N439-T442 WeakPolarHBondContact O-CB 3.46Å; N439-T442 PolarHBondContact O-N 3.49Å; N439-V443 WeakPolarHBondContact O-CG2 3.42Å; N439-V443 PolarHBondContact O-N 3.06Å
440	L	54.2	Low	53.8	Low	86 Å²	86	104.1 Å²	104.1	45%	0.45	51%	0.51	S	S	.	.	H	α-helix	trans	-68.5	-34.1	177	-132	127.6	0	0	0	112.4	I436 K437 E438 T442 K444	I436-L440 WeakPolarHBondContact O-CB 3.48Å; I436-L440 PolarHBondContact O-N 3.14Å; K437-L440 PolarHBondContact O-N 3.3Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 2.99Å; L440-T442 VanDerWaalsContact C-N 3.33Å; L440-K444 WeakPolarHBondContact O-CB 3.38Å; L440-K444 PolarHBondContact O-N 3.21Å
441	H	55.8	Low	53.8	Low	96 Å²	96	104 Å²	104	44%	0.444	51%	0.514	S	S	.	.	H	α-helix	trans	-67.9	-33.1	172.3	-79.2	-56.3	0	0	0	112.6	K437 E438 N439 R445	K437-H441 PolarHBondContact O-CD2 2.97Å; K437-H441 PolarHBondContact O-N 2.96Å; E438-H441 PolarHBondContact O-N 3.09Å; N439-H441 PolarHBondContact O-N 3Å; H441-R445 WeakPolarHBondContact O-CB 3.38Å; H441-R445 PolarHBondContact O-N 3.32Å; H441-R445 VanDerWaalsContact O-N 3.07Å
442	T	56.1	Low	53.7	Low	62 Å²	62	104.8 Å²	104.8	38%	0.38	52%	0.518	S	S	.	.	H	α-helix	trans	-67.8	-47.6	174	-57.1	0	0	0	0	110.9	E438 N439 L440 K444 R445 D446	E438-T442 PolarHBondContact O-N 3.19Å; E438-T442 PolarHBondContact O-OG1 3.34Å; N439-T442 WeakPolarHBondContact O-CB 3.46Å; N439-T442 PolarHBondContact O-N 3.49Å; L440-T442 VanDerWaalsContact C-N 3.33Å; T442-K444 VanDerWaalsContact C-N 3.32Å; T442-K444 PolarHBondContact O-N 3.5Å; T442-R445 WeakPolarHBondContact O-CB 3.5Å; T442-R445 PolarHBondContact O-N 3.47Å; T442-D446 PolarHBondContact O-N 2.94Å
443	V	55.8	Low	53.6	Low	90 Å²	90	109 Å²	109	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-59.9	-41.4	174.8	174.3	0	0	0	0	111.6	N439 R445 D446 V447	N439-V443 WeakPolarHBondContact O-CG2 3.42Å; N439-V443 PolarHBondContact O-N 3.06Å; V443-R445 VanDerWaalsContact C-N 3.32Å; V443-R445 PolarHBondContact O-N 3.37Å; V443-D446 PolarHBondContact O-N 3Å; V443-V447 HydrophobicContact CG1-CG2 4.38Å; V443-V447 WeakPolarHBondContact O-CB 2.92Å; V443-V447 VanDerWaalsContact O-CG2 3.25Å; V443-V447 WeakPolarHBondContact O-CG2 3.47Å; V443-V447 PolarHBondContact O-N 3.28Å
444	K	56.7	Low	53.3	Low	113 Å²	113	109.6 Å²	109.6	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-57.5	-45.3	173.7	177.9	-174.1	169.4	-174.1	0	111.7	L440 T442 V447 E448	L440-K444 WeakPolarHBondContact O-CB 3.38Å; L440-K444 PolarHBondContact O-N 3.21Å; T442-K444 VanDerWaalsContact C-N 3.32Å; T442-K444 PolarHBondContact O-N 3.5Å; K444-V447 PolarHBondContact O-N 3.46Å; K444-E448 WeakPolarHBondContact CE-OE1 3.46Å; K444-E448 IonicContact NZ-OE1 2.73Å; K444-E448 WeakPolarHBondContact O-CB 3.39Å; K444-E448 WeakPolarHBondContact O-CG 3.43Å; K444-E448 PolarHBondContact O-N 2.96Å
445	R	60.8	Low	53	Low	150 Å²	150	111.1 Å²	111.1	57%	0.566	55%	0.549	S	S	*	.	H	α-helix	trans	-66.1	-41.5	-179	-168.7	-180	-79.6	125.5	-8.7	110.8	H441 T442 V443 V447 E448 H449	H441-R445 WeakPolarHBondContact O-CB 3.38Å; H441-R445 PolarHBondContact O-N 3.32Å; H441-R445 VanDerWaalsContact O-N 3.07Å; T442-R445 WeakPolarHBondContact O-CB 3.5Å; T442-R445 PolarHBondContact O-N 3.47Å; V443-R445 VanDerWaalsContact C-N 3.32Å; V443-R445 PolarHBondContact O-N 3.37Å; R445-V447 PolarHBondContact O-N 3.04Å; R445-E448 PolarHBondContact O-N 3.07Å; R445-H449 PolarHBondContact O-CD2 3.04Å; R445-H449 VanDerWaalsContact O-CD2 3.24Å; R445-H449 PolarHBondContact O-N 3.41Å
446	D	51.3	Low	52.5	Low	91 Å²	91	115.4 Å²	115.4	49%	0.487	57%	0.567	S	S	.	*	H	α-helix	trans	-65.9	-38.5	177.7	-69	-17.5	0	0	0	112.2	T442 V443 H449 L450	T442-D446 PolarHBondContact O-N 2.94Å; V443-D446 PolarHBondContact O-N 3Å; D446-H449 PolarHBondContact O-N 3.03Å; D446-L450 PolarHBondContact O-N 2.93Å
447	V	56.1	Low	51.6	Low	79 Å²	79	118.4 Å²	118.4	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-67.8	-40.8	174	172.8	0	0	0	0	111.4	V443 K444 R445 H449 L450 V451	V443-V447 HydrophobicContact CG1-CG2 4.38Å; V443-V447 WeakPolarHBondContact O-CB 2.92Å; V443-V447 VanDerWaalsContact O-CG2 3.25Å; V443-V447 WeakPolarHBondContact O-CG2 3.47Å; V443-V447 PolarHBondContact O-N 3.28Å; K444-V447 PolarHBondContact O-N 3.46Å; R445-V447 PolarHBondContact O-N 3.04Å; V447-H449 VanDerWaalsContact C-N 3.31Å; V447-H449 PolarHBondContact O-N 2.97Å; V447-L450 PolarHBondContact O-N 3.23Å; V447-V451 HydrophobicContact CG1-CG2 4.47Å; V447-V451 VanDerWaalsContact O-CG2 3.27Å; V447-V451 WeakPolarHBondContact O-CG2 3.44Å; V447-V451 PolarHBondContact O-N 2.98Å
448	E	51	Low	51	Low	97 Å²	97	119 Å²	119	45%	0.453	60%	0.6	S	S	.	*	H	α-helix	trans	-62.8	-37.3	174.2	-77.8	174.5	172.2	0	0	111.9	K444 R445 V451 Q452	K444-E448 WeakPolarHBondContact CE-OE1 3.46Å; K444-E448 IonicContact NZ-OE1 2.73Å; K444-E448 WeakPolarHBondContact O-CB 3.39Å; K444-E448 WeakPolarHBondContact O-CG 3.43Å; K444-E448 PolarHBondContact O-N 2.96Å; R445-E448 PolarHBondContact O-N 3.07Å; E448-V451 PolarHBondContact O-N 3.37Å; E448-Q452 PolarHBondContact O-N 3.07Å
449	H	50.2	Low	50.4	Low	121 Å²	121	116.2 Å²	116.2	56%	0.56	61%	0.606	S	S	*	*	H	α-helix	trans	-67.9	-37.5	174.3	-90.9	-83.7	0	0	0	113.2	R445 D446 V447 R453	R445-H449 PolarHBondContact O-CD2 3.04Å; R445-H449 VanDerWaalsContact O-CD2 3.24Å; R445-H449 PolarHBondContact O-N 3.41Å; D446-H449 PolarHBondContact O-N 3.03Å; V447-H449 VanDerWaalsContact C-N 3.31Å; V447-H449 PolarHBondContact O-N 2.97Å; H449-R453 WeakPolarHBondContact O-CB 3.13Å; H449-R453 PolarHBondContact O-N 3.24Å
450	L	48.2	Very low	49.8	Very low	118 Å²	118	118.6 Å²	118.6	62%	0.618	62%	0.619	S	S	*	*	H	α-helix	trans	-66.6	-38	173.6	-93.1	149.9	0	0	0	112.2	D446 V447	D446-L450 PolarHBondContact O-N 2.93Å; V447-L450 PolarHBondContact O-N 3.23Å
451	V	50.7	Low	49	Very low	90 Å²	90	123.5 Å²	123.5	55%	0.545	64%	0.636	S	S	.	*	H	α-helix	trans	-72.9	-40.1	179	172	0	0	0	0	111.7	V447 E448 N454	V447-V451 HydrophobicContact CG1-CG2 4.47Å; V447-V451 VanDerWaalsContact O-CG2 3.27Å; V447-V451 WeakPolarHBondContact O-CG2 3.44Å; V447-V451 PolarHBondContact O-N 2.98Å; E448-V451 PolarHBondContact O-N 3.37Å; V451-N454 PolarHBondContact O-N 3.2Å
452	Q	46.7	Very low	48.8	Very low	136 Å²	136	125.9 Å²	125.9	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-70.6	-30.9	178.8	-78.8	-180	-4.7	0	0	113.3	E448 N454 V455	E448-Q452 PolarHBondContact O-N 3.07Å; Q452-N454 PolarHBondContact O-N 2.86Å; Q452-V455 PolarHBondContact O-N 3.36Å
453	R	46.6	Very low	48.1	Very low	218 Å²	218	128.5 Å²	128.5	82%	0.823	67%	0.673	S	S	*	*	H	α-helix	trans	-68.2	-21.4	178.5	-160.4	176.3	-178.2	113.9	-0.2	113.3	H449	H449-R453 WeakPolarHBondContact O-CB 3.13Å; H449-R453 PolarHBondContact O-N 3.24Å
454	N	45.2	Very low	47.6	Very low	142 Å²	142	133.4 Å²	133.4	76%	0.759	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-4	-179	-79	-18	0	0	0	114.6	V451 Q452	V451-N454 PolarHBondContact O-N 3.2Å; Q452-N454 PolarHBondContact O-N 2.86Å
455	V	47.4	Very low	46.6	Very low	117 Å²	117	133.6 Å²	133.6	71%	0.709	70%	0.702	S	S	*	*	S	Bend	trans	-104.9	-6.8	-174.3	179	0	0	0	0	113.5	Q452	Q452-V455 PolarHBondContact O-N 3.36Å
456	Q	40.3	Very low	46.2	Very low	169 Å²	169	131.9 Å²	131.9	79%	0.79	71%	0.71	S	S	*	*	S	Bend	trans	-109.7	98.4	178.1	-78.6	172.3	-13.1	0	0	112.8
457	N	39.3	Very low	46.2	Very low	156 Å²	156	136.7 Å²	136.7	83%	0.834	73%	0.729	S	S	*	*			trans	66.7	122.1	158.2	-70.5	-16.1	0	0	0	120.4
458	P	45.5	Very low	45.8	Very low	133 Å²	133	140.5 Å²	140.5	86%	0.864	75%	0.746	S	S	*	*			trans	-94.7	116.6	159.7	33.4	-22.6	0	0	0	110.3
459	G	45.1	Very low	46.4	Very low	70 Å²	70	140.9 Å²	140.9	72%	0.722	76%	0.757	S	S	*	*			trans	146.5	118.7	168.1	0	0	0	0	0	114.3
460	D	42.4	Very low	46.9	Very low	157 Å²	157	141.1 Å²	141.1	84%	0.84	77%	0.769	S	S	*	*			trans	62.3	95.5	168.7	-80.4	-10.7	0	0	0	118.8
461	K	38.2	Very low	47	Very low	188 Å²	188	143.2 Å²	143.2	82%	0.817	78%	0.778	S	S	*	*				174.8	137.2	112.3	-90.1	159.9	-170.4	-178	0	108.5	V463	K461-V463 VanDerWaalsContact C-N 3.33Å; K461-V463 PolarHBondContact O-N 3.42Å
462	V	51.8	Low	47.3	Very low	146 Å²	146	144.2 Å²	144.2	89%	0.885	79%	0.786	S	S	*	*			trans	-58.9	99	164.4	175.7	0	0	0	0	107.4	K464	V462-K464 PolarHBondContact O-N 3.14Å
463	V	41.8	Very low	48	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.715	79%	0.789	S	S	*	*			trans	-78.5	100.4	172.7	179.1	0	0	0	0	106.6	K461 C465	K461-V463 VanDerWaalsContact C-N 3.33Å; K461-V463 PolarHBondContact O-N 3.42Å; V463-C465 PolarHBondContact O-N 3.38Å
464	K	44.6	Very low	48.8	Very low	192 Å²	192	138.4 Å²	138.4	84%	0.835	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-51.5	130.2	158.1	-89.7	179	171.7	179.8	0	107.6	V462	V462-K464 PolarHBondContact O-N 3.14Å
465	C	36.3	Very low	50.2	Low	118 Å²	118	136.8 Å²	136.8	80%	0.797	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-50.3	131.6	175.6	-71.3	0	0	0	0	109.5	V463 E467	V463-C465 PolarHBondContact O-N 3.38Å; C465-E467 PolarHBondContact O-N 3.14Å
466	P	52.3	Low	51.7	Low	113 Å²	113	133.4 Å²	133.4	73%	0.734	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-58.4	131.8	169.2	-17.6	29.7	0	0	0	108.5	L468	P466-L468 PolarHBondContact O-N 2.93Å
467	E	50.9	Low	53.4	Low	192 Å²	192	131.2 Å²	131.2	90%	0.897	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-55.6	126.6	172.1	-92.9	177.3	154.2	0	0	109.3	C465	C465-E467 PolarHBondContact O-N 3.14Å
468	L	47.9	Very low	55.4	Low	159 Å²	159	128.1 Å²	128.1	83%	0.832	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-54.8	128.8	176.8	-79.5	151.1	0	0	0	109	P466	P466-L468 PolarHBondContact O-N 2.93Å
469	P	62.2	Low	57.2	Low	105 Å²	105	127.3 Å²	127.3	68%	0.682	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-59.9	138.6	168.2	25.1	-30.7	0	0	0	108.3	M471	P469-M471 PolarHBondContact O-N 3.12Å; P469-M471 VanDerWaalsContact O-N 3.14Å
470	P	62	Low	59	Low	126 Å²	126	130 Å²	130	82%	0.818	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-58.1	124.9	-179	22.5	-31.5	0	0	0	109.2
471	M	50.1	Low	61	Low	162 Å²	162	124.9 Å²	124.9	80%	0.798	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-52.6	131.6	177.3	-65.4	-77.5	-81.9	0	0	108.9	P469 S473	P469-M471 PolarHBondContact O-N 3.12Å; P469-M471 VanDerWaalsContact O-N 3.14Å; M471-S473 PolarHBondContact O-N 2.89Å; M471-S473 VanDerWaalsContact O-N 3.13Å
472	P	57.1	Low	63.5	Low	111 Å²	111	120.3 Å²	120.3	72%	0.721	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-59.3	124.3	171.3	24.7	-30.5	0	0	0	107.3	C474	P472-C474 PolarHBondContact O-N 3.23Å
473	S	60.8	Low	65.4	Low	101 Å²	101	120.2 Å²	120.2	71%	0.706	68%	0.677	S	S	*	*			trans	-62.4	106.9	-178.6	9.7	0	0	0	0	108.1	M471 L475	M471-S473 PolarHBondContact O-N 2.89Å; M471-S473 VanDerWaalsContact O-N 3.13Å; S473-L475 PolarHBondContact O-N 3.38Å
474	C	64.7	Low	67.7	Low	131 Å²	131	117.5 Å²	117.5	89%	0.885	66%	0.661	S	S	*	*	S	Bend	trans	-63.2	-5.2	-177.7	-59.7	0	0	0	0	113.7	P472	P472-C474 PolarHBondContact O-N 3.23Å
475	L	73.2	Confident	70	Confident	108 Å²	108	112.7 Å²	112.7	57%	0.565	65%	0.648	S	S	*	*	S	Bend	trans	-160.1	125.9	163.2	-165	69	0	0	0	107.5	S473 H479 F480	S473-L475 PolarHBondContact O-N 3.38Å; L475-H479 HydrophobicContact CD1-CB 3.96Å; L475-H479 HydrophobicContact CG-CB 4.12Å; L475-F480 HydrophobicContact CD2-CB 3.94Å; L475-F480 HydrophobicContact CD2-CD2 4.18Å
476	S	78.7	Confident	72.8	Confident	47 Å²	47	111.5 Å²	111.5	33%	0.329	63%	0.632	S	S	.	*			trans	-63.6	140.5	174.7	155.7	0	0	0	0	109.8	V478 H479 F480	S476-V478 PolarHBondContact O-N 3.21Å; S476-V478 PolarHBondContact OG-N 3.49Å; S476-H479 WeakPolarHBondContact CB-ND1 3.48Å; S476-H479 WeakPolarHBondContact O-CA 3.07Å; S476-H479 WeakPolarHBondContact O-CB 3.32Å; S476-H479 PolarHBondContact O-N 2.86Å; S476-F480 PolarHBondContact O-N 3.28Å
477	T	77.5	Confident	74.6	Confident	122 Å²	122	111.9 Å²	111.9	75%	0.748	62%	0.624	S	S	*	*	H	α-helix	trans	-51.9	-30.6	177.3	-15.3	0	0	0	0	112.1	A481	T477-A481 WeakPolarHBondContact O-CB 3.42Å; T477-A481 PolarHBondContact O-N 2.87Å
478	V	81.4	Confident	76.6	Confident	92 Å²	92	106 Å²	106	56%	0.558	60%	0.601	S	S	*	*	H	α-helix	trans	-68.4	-43.3	175.1	-179.7	0	0	0	0	111.3	S476 A481 I482	S476-V478 PolarHBondContact O-N 3.21Å; S476-V478 PolarHBondContact OG-N 3.49Å; V478-A481 PolarHBondContact O-N 3.41Å; V478-I482 HydrophobicContact CG1-CD1 3.91Å; V478-I482 WeakPolarHBondContact O-CB 3.44Å; V478-I482 WeakPolarHBondContact O-CD1 3.15Å; V478-I482 VanDerWaalsContact O-CG1 3.22Å; V478-I482 WeakPolarHBondContact O-CG1 3.38Å; V478-I482 PolarHBondContact O-N 3.4Å
479	H	81.4	Confident	78.8	Confident	116 Å²	116	102.3 Å²	102.3	54%	0.537	59%	0.585	S	S	.	*	H	α-helix	trans	-68.1	-38.6	178.3	-70.6	70.5	0	0	0	111.4	L475 S476 I482 F483	L475-H479 HydrophobicContact CD1-CB 3.96Å; L475-H479 HydrophobicContact CG-CB 4.12Å; S476-H479 WeakPolarHBondContact CB-ND1 3.48Å; S476-H479 WeakPolarHBondContact O-CA 3.07Å; S476-H479 WeakPolarHBondContact O-CB 3.32Å; S476-H479 PolarHBondContact O-N 2.86Å; H479-I482 PolarHBondContact O-N 3.07Å; H479-F483 WeakPolarHBondContact O-CB 3.3Å; H479-F483 PolarHBondContact O-N 2.89Å
480	F	84	Confident	80.3	Confident	126 Å²	126	102.7 Å²	102.7	55%	0.553	58%	0.581	S	S	*	*	H	α-helix	trans	-61.9	-47.2	172.6	-178.8	-103.4	0	0	0	111.8	L475 S476 I482 F483 V484	L475-F480 HydrophobicContact CD2-CB 3.94Å; L475-F480 HydrophobicContact CD2-CD2 4.18Å; S476-F480 PolarHBondContact O-N 3.28Å; F480-I482 PolarHBondContact O-N 2.86Å; F480-F483 PolarHBondContact O-N 3.19Å; F480-V484 HydrophobicContact CD1-CG2 4.32Å; F480-V484 HydrophobicContact CE1-CG2 3.93Å; F480-V484 HydrophobicContact CE2-CG2 4.27Å; F480-V484 HydrophobicContact CZ-CG2 3.91Å; F480-V484 WeakPolarHBondContact O-CG2 3.29Å; F480-V484 PolarHBondContact O-N 3.31Å
481	A	85.1	Confident	81.8	Confident	50 Å²	50	102.7 Å²	102.7	41%	0.413	57%	0.568	S	S	.	*	H	α-helix	trans	-62.7	-41.3	178.6	0	0	0	0	0	112.4	T477 V478 F483 V484 V485	T477-A481 WeakPolarHBondContact O-CB 3.42Å; T477-A481 PolarHBondContact O-N 2.87Å; V478-A481 PolarHBondContact O-N 3.41Å; A481-F483 VanDerWaalsContact C-N 3.32Å; A481-F483 PolarHBondContact O-N 2.96Å; A481-V484 PolarHBondContact O-N 2.88Å; A481-V485 VanDerWaalsContact O-CG2 3.3Å; A481-V485 WeakPolarHBondContact O-CG2 3.21Å; A481-V485 PolarHBondContact O-N 2.84Å
482	I	89.8	Confident	83.8	Confident	91 Å²	91	101.2 Å²	101.2	47%	0.467	56%	0.558	S	S	.	*	H	α-helix	trans	-60.1	-44.7	174.5	-70.8	166.1	0	0	0	110.4	V478 H479 F480 V484 V485 I486	V478-I482 HydrophobicContact CG1-CD1 3.91Å; V478-I482 WeakPolarHBondContact O-CB 3.44Å; V478-I482 WeakPolarHBondContact O-CD1 3.15Å; V478-I482 VanDerWaalsContact O-CG1 3.22Å; V478-I482 WeakPolarHBondContact O-CG1 3.38Å; V478-I482 PolarHBondContact O-N 3.4Å; H479-I482 PolarHBondContact O-N 3.07Å; F480-I482 PolarHBondContact O-N 2.86Å; I482-V484 PolarHBondContact O-N 3.44Å; I482-V485 PolarHBondContact O-N 3.42Å; I482-I486 HydrophobicContact CG2-CD1 3.67Å; I482-I486 HydrophobicContact CG2-CG1 4.38Å; I482-I486 VanDerWaalsContact O-CG1 3.29Å; I482-I486 WeakPolarHBondContact O-CG1 3.33Å; I482-I486 PolarHBondContact O-N 2.89Å
483	F	90.6	Very high	85.4	Confident	145 Å²	145	99.3 Å²	99.3	64%	0.636	55%	0.546	S	S	*	.	H	α-helix	trans	-63.8	-42.8	-179.9	-148	-88.4	0	0	0	112	H479 F480 A481 I486 Q487	H479-F483 WeakPolarHBondContact O-CB 3.3Å; H479-F483 PolarHBondContact O-N 2.89Å; F480-F483 PolarHBondContact O-N 3.19Å; A481-F483 VanDerWaalsContact C-N 3.32Å; A481-F483 PolarHBondContact O-N 2.96Å; F483-I486 PolarHBondContact O-N 3.46Å; F483-Q487 VanDerWaalsContact O-CB 3.29Å; F483-Q487 WeakPolarHBondContact O-CB 3.38Å; F483-Q487 PolarHBondContact O-N 3.35Å
484	V	91.1	Very high	86.9	Confident	60 Å²	60	101.3 Å²	101.3	36%	0.364	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-42.7	176	172.3	0	0	0	0	111.2	F480 A481 I482 Q487 T488	F480-V484 HydrophobicContact CD1-CG2 4.32Å; F480-V484 HydrophobicContact CE1-CG2 3.93Å; F480-V484 HydrophobicContact CE2-CG2 4.27Å; F480-V484 HydrophobicContact CZ-CG2 3.91Å; F480-V484 WeakPolarHBondContact O-CG2 3.29Å; F480-V484 PolarHBondContact O-N 3.31Å; A481-V484 PolarHBondContact O-N 2.88Å; I482-V484 PolarHBondContact O-N 3.44Å; V484-Q487 PolarHBondContact O-N 2.9Å; V484-T488 WeakPolarHBondContact O-CB 3.42Å; V484-T488 PolarHBondContact O-N 3.27Å; V484-T488 PolarHBondContact O-OG1 3.31Å
485	V	93.2	Very high	88.1	Confident	92 Å²	92	98.8 Å²	98.8	56%	0.558	52%	0.516	S	S	*	.	H	α-helix	trans	-63.7	-46.2	177.2	171.3	0	0	0	0	110.8	A481 I482 Q487 T488 V489	A481-V485 VanDerWaalsContact O-CG2 3.3Å; A481-V485 WeakPolarHBondContact O-CG2 3.21Å; A481-V485 PolarHBondContact O-N 2.84Å; I482-V485 PolarHBondContact O-N 3.42Å; V485-Q487 PolarHBondContact O-N 3.49Å; V485-T488 PolarHBondContact O-N 2.95Å; V485-V489 HydrophobicContact CG1-CG2 4.48Å; V485-V489 WeakPolarHBondContact O-CG2 3.33Å; V485-V489 PolarHBondContact O-N 2.91Å
486	I	93.9	Very high	88.8	Confident	92 Å²	92	100 Å²	100	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-46.8	177.5	-69.1	169.8	0	0	0	110.6	I482 F483 T488 V489 L490	I482-I486 HydrophobicContact CG2-CD1 3.67Å; I482-I486 HydrophobicContact CG2-CG1 4.38Å; I482-I486 VanDerWaalsContact O-CG1 3.29Å; I482-I486 WeakPolarHBondContact O-CG1 3.33Å; I482-I486 PolarHBondContact O-N 2.89Å; F483-I486 PolarHBondContact O-N 3.46Å; I486-T488 VanDerWaalsContact C-N 3.3Å; I486-T488 PolarHBondContact O-N 3.41Å; I486-V489 PolarHBondContact O-N 3.29Å; I486-L490 HydrophobicContact CG2-CD1 3.98Å; I486-L490 HydrophobicContact CG2-CG 4.43Å; I486-L490 WeakPolarHBondContact O-CG 3.34Å; I486-L490 PolarHBondContact O-N 2.96Å
487	Q	91.5	Very high	89.3	Confident	122 Å²	122	104.4 Å²	104.4	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-62.3	-39.1	178.9	-170.3	177.9	1.1	0	0	111.7	F483 V484 V485 L490 F491	F483-Q487 VanDerWaalsContact O-CB 3.29Å; F483-Q487 WeakPolarHBondContact O-CB 3.38Å; F483-Q487 PolarHBondContact O-N 3.35Å; V484-Q487 PolarHBondContact O-N 2.9Å; V485-Q487 PolarHBondContact O-N 3.49Å; Q487-L490 PolarHBondContact O-N 2.89Å; Q487-F491 WeakPolarHBondContact O-CB 3.29Å; Q487-F491 PolarHBondContact O-N 3.41Å
488	T	92.3	Very high	89.8	Confident	67 Å²	67	103.6 Å²	103.6	41%	0.411	52%	0.517	S	S	.	.	H	α-helix	trans	-66.8	-43.8	177.6	-53	0	0	0	0	111.1	V484 V485 I486 F491 F492	V484-T488 WeakPolarHBondContact O-CB 3.42Å; V484-T488 PolarHBondContact O-N 3.27Å; V484-T488 PolarHBondContact O-OG1 3.31Å; V485-T488 PolarHBondContact O-N 2.95Å; I486-T488 VanDerWaalsContact C-N 3.3Å; I486-T488 PolarHBondContact O-N 3.41Å; T488-F491 PolarHBondContact O-N 3.31Å; T488-F492 HydrophobicContact CG2-CD2 3.88Å; T488-F492 HydrophobicContact CG2-CE2 3.87Å; T488-F492 WeakPolarHBondContact O-CD2 3.38Å; T488-F492 PolarHBondContact O-N 3.4Å
489	V	94.3	Very high	89.8	Confident	82 Å²	82	102.5 Å²	102.5	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-45.3	176.3	171.6	0	0	0	0	111.1	V485 I486 F491 F492 C493	V485-V489 HydrophobicContact CG1-CG2 4.48Å; V485-V489 WeakPolarHBondContact O-CG2 3.33Å; V485-V489 PolarHBondContact O-N 2.91Å; I486-V489 PolarHBondContact O-N 3.29Å; V489-F491 VanDerWaalsContact C-N 3.3Å; V489-F491 PolarHBondContact O-N 3.44Å; V489-F492 PolarHBondContact O-N 3.28Å; V489-C493 WeakPolarHBondContact O-CB 3.5Å; V489-C493 PolarHBondContact O-N 2.89Å; V489-C493 PolarHBondContact O-SG 2.88Å
490	L	93.7	Very high	89.8	Confident	114 Å²	114	103.8 Å²	103.8	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-61.1	-40.1	176.8	-73	173.7	0	0	0	111.9	I486 Q487 C493 Y494	I486-L490 HydrophobicContact CG2-CD1 3.98Å; I486-L490 HydrophobicContact CG2-CG 4.43Å; I486-L490 WeakPolarHBondContact O-CG 3.34Å; I486-L490 PolarHBondContact O-N 2.96Å; Q487-L490 PolarHBondContact O-N 2.89Å; L490-C493 PolarHBondContact O-N 2.97Å; L490-Y494 WeakPolarHBondContact O-CB 3.47Å; L490-Y494 PolarHBondContact O-N 3.48Å
491	F	93.6	Very high	89.5	Confident	125 Å²	125	103.2 Å²	103.2	55%	0.548	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-43.9	176.5	-172.1	-104.5	0	0	0	112.2	Q487 T488 V489 Y494 I495	Q487-F491 WeakPolarHBondContact O-CB 3.29Å; Q487-F491 PolarHBondContact O-N 3.41Å; T488-F491 PolarHBondContact O-N 3.31Å; V489-F491 VanDerWaalsContact C-N 3.3Å; V489-F491 PolarHBondContact O-N 3.44Å; F491-Y494 PolarHBondContact O-N 3.43Å; F491-I495 HydrophobicContact CD1-CD1 3.86Å; F491-I495 HydrophobicContact CE1-CD1 3.33Å; F491-I495 HydrophobicContact CE1-CG1 4.3Å; F491-I495 HydrophobicContact CZ-CD1 3.73Å; F491-I495 HydrophobicContact CZ-CG1 4.46Å; F491-I495 WeakPolarHBondContact O-CG1 3.44Å; F491-I495 PolarHBondContact O-N 3.38Å
492	F	91.9	Very high	89.1	Confident	131 Å²	131	105.8 Å²	105.8	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-43.5	174.5	-90.3	-75.3	0	0	0	112.4	T488 V489 Y494 I495 M496	T488-F492 HydrophobicContact CG2-CD2 3.88Å; T488-F492 HydrophobicContact CG2-CE2 3.87Å; T488-F492 WeakPolarHBondContact O-CD2 3.38Å; T488-F492 PolarHBondContact O-N 3.4Å; V489-F492 PolarHBondContact O-N 3.28Å; F492-Y494 VanDerWaalsContact C-N 3.29Å; F492-Y494 PolarHBondContact O-N 2.65Å; F492-I495 PolarHBondContact O-N 2.98Å; F492-M496 WeakPolarHBondContact O-CG 3.33Å; F492-M496 PolarHBondContact O-N 3.45Å
493	C	91	Very high	88.3	Confident	72 Å²	72	104.1 Å²	104.1	49%	0.486	52%	0.522	S	S	.	.	H	α-helix	trans	-59.3	-41.2	174.5	-73.1	0	0	0	0	111.6	V489 L490 M496 Y497	V489-C493 WeakPolarHBondContact O-CB 3.5Å; V489-C493 PolarHBondContact O-N 2.89Å; V489-C493 PolarHBondContact O-SG 2.88Å; L490-C493 PolarHBondContact O-N 2.97Å; C493-M496 PolarHBondContact O-N 3.49Å; C493-Y497 WeakPolarHBondContact O-CB 3.36Å; C493-Y497 PolarHBondContact O-N 2.94Å
494	Y	92.7	Very high	87.3	Confident	143 Å²	143	99.7 Å²	99.7	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-64.3	-44.8	176.1	177.9	-99.1	0	0	0	112.3	L490 F491 F492 M496 Y497 K498	L490-Y494 WeakPolarHBondContact O-CB 3.47Å; L490-Y494 PolarHBondContact O-N 3.48Å; F491-Y494 PolarHBondContact O-N 3.43Å; F492-Y494 VanDerWaalsContact C-N 3.29Å; F492-Y494 PolarHBondContact O-N 2.65Å; Y494-M496 PolarHBondContact O-N 3.49Å; Y494-Y497 PolarHBondContact O-N 2.96Å; Y494-K498 HydrophobicContact CE1-CD 4.48Å; Y494-K498 WeakPolarHBondContact O-CB 3.33Å; Y494-K498 PolarHBondContact O-N 3.14Å
495	I	89.7	Confident	85.9	Confident	78 Å²	78	99.5 Å²	99.5	40%	0.4	52%	0.517	S	S	.	.	H	α-helix	trans	-62.8	-42.6	175.9	-72.2	-179.3	0	0	0	111.1	F491 F492 K498 S499	F491-I495 HydrophobicContact CD1-CD1 3.86Å; F491-I495 HydrophobicContact CE1-CD1 3.33Å; F491-I495 HydrophobicContact CE1-CG1 4.3Å; F491-I495 HydrophobicContact CZ-CD1 3.73Å; F491-I495 HydrophobicContact CZ-CG1 4.46Å; F491-I495 WeakPolarHBondContact O-CG1 3.44Å; F491-I495 PolarHBondContact O-N 3.38Å; F492-I495 PolarHBondContact O-N 2.98Å; I495-K498 PolarHBondContact O-N 3.39Å; I495-S499 WeakPolarHBondContact O-CB 3.29Å; I495-S499 PolarHBondContact O-N 3.31Å
496	M	87.7	Confident	84.2	Confident	133 Å²	133	103 Å²	103	66%	0.655	53%	0.525	S	S	*	.	H	α-helix	trans	-64.2	-42.3	176.8	-74.7	-170.1	70	0	0	112.1	F492 C493 Y494 S499 Q500	F492-M496 WeakPolarHBondContact O-CG 3.33Å; F492-M496 PolarHBondContact O-N 3.45Å; C493-M496 PolarHBondContact O-N 3.49Å; Y494-M496 PolarHBondContact O-N 3.49Å; M496-S499 PolarHBondContact O-N 2.88Å; M496-Q500 WeakPolarHBondContact O-CB 3.3Å; M496-Q500 PolarHBondContact O-N 3.3Å
497	Y	89.4	Confident	82.4	Confident	140 Å²	140	107.4 Å²	107.4	55%	0.549	54%	0.541	S	S	.	.	H	α-helix	trans	-61.5	-47.2	175.6	177.3	-98.2	0	0	0	111.7	C493 Y494 Q500 Q501	C493-Y497 WeakPolarHBondContact O-CB 3.36Å; C493-Y497 PolarHBondContact O-N 2.94Å; Y494-Y497 PolarHBondContact O-N 2.96Å; Y497-Q500 PolarHBondContact O-N 3.13Å; Y497-Q501 HydrophobicContact CE1-CG 4.21Å; Y497-Q501 PolarHBondContact O-N 2.93Å; Y497-Q501 PolarHBondContact OH-NE2 3.31Å
498	K	86.4	Confident	80.5	Confident	104 Å²	104	110.4 Å²	110.4	45%	0.452	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-44.5	177.2	-174.2	177.8	174.8	-179.4	0	111.7	Y494 I495 Q500 Q501 E502	Y494-K498 HydrophobicContact CE1-CD 4.48Å; Y494-K498 WeakPolarHBondContact O-CB 3.33Å; Y494-K498 PolarHBondContact O-N 3.14Å; I495-K498 PolarHBondContact O-N 3.39Å; K498-Q500 VanDerWaalsContact C-N 3.35Å; K498-Q500 PolarHBondContact O-N 3.43Å; K498-Q501 PolarHBondContact O-N 2.96Å; K498-E502 WeakPolarHBondContact CE-OE1 3.35Å; K498-E502 WeakPolarHBondContact O-CG 3.5Å; K498-E502 PolarHBondContact O-N 2.93Å
499	S	82.4	Confident	78.2	Confident	69 Å²	69	119.3 Å²	119.3	48%	0.483	59%	0.585	S	S	.	*	H	α-helix	trans	-61.8	-40.3	176	179.5	0	0	0	0	112.2	I495 M496 E502 A503	I495-S499 WeakPolarHBondContact O-CB 3.29Å; I495-S499 PolarHBondContact O-N 3.31Å; M496-S499 PolarHBondContact O-N 2.88Å; S499-E502 PolarHBondContact O-N 2.93Å; S499-A503 VanDerWaalsContact O-CB 3.29Å; S499-A503 WeakPolarHBondContact O-CB 3.43Å; S499-A503 PolarHBondContact O-N 3.47Å
500	Q	80.7	Confident	77.4	Confident	144 Å²	144	121.2 Å²	121.2	67%	0.673	59%	0.59	S	S	*	*	H	α-helix	trans	-63.6	-41.4	172.5	-94.2	-166.7	-15.6	0	0	112.6	M496 Y497 K498 A503 A504	M496-Q500 WeakPolarHBondContact O-CB 3.3Å; M496-Q500 PolarHBondContact O-N 3.3Å; Y497-Q500 PolarHBondContact O-N 3.13Å; K498-Q500 VanDerWaalsContact C-N 3.35Å; K498-Q500 PolarHBondContact O-N 3.43Å; Q500-A503 PolarHBondContact O-N 3.2Å; Q500-A504 VanDerWaalsContact O-CB 3.3Å; Q500-A504 WeakPolarHBondContact O-CB 3.44Å; Q500-A504 PolarHBondContact O-N 3.03Å
501	Q	78.9	Confident	76.5	Confident	113 Å²	113	121.5 Å²	121.5	53%	0.528	59%	0.589	S	S	.	*	H	α-helix	trans	-64.7	-42.2	175.4	-78.2	-144.4	-16.3	0	0	112.2	Y497 K498 A504 A505	Y497-Q501 HydrophobicContact CE1-CG 4.21Å; Y497-Q501 PolarHBondContact O-N 2.93Å; Y497-Q501 PolarHBondContact OH-NE2 3.31Å; K498-Q501 PolarHBondContact O-N 2.96Å; Q501-A504 PolarHBondContact O-N 3.49Å; Q501-A505 WeakPolarHBondContact O-CB 3.5Å; Q501-A505 PolarHBondContact O-N 2.95Å
502	E	76.6	Confident	75.6	Confident	105 Å²	105	121.3 Å²	121.3	49%	0.491	59%	0.592	S	S	.	*	H	α-helix	trans	-65.4	-37.9	176.2	-72.6	177.4	-173.6	0	0	111.8	K498 S499 A505 K506	K498-E502 WeakPolarHBondContact CE-OE1 3.35Å; K498-E502 WeakPolarHBondContact O-CG 3.5Å; K498-E502 PolarHBondContact O-N 2.93Å; S499-E502 PolarHBondContact O-N 2.93Å; E502-A505 PolarHBondContact O-N 3.38Å; E502-K506 WeakPolarHBondContact O-CG 3.22Å; E502-K506 PolarHBondContact O-N 3.03Å; E502-K506 VanDerWaalsContact O-N 3.14Å
503	A	73.4	Confident	74.6	Confident	56 Å²	56	120.8 Å²	120.8	46%	0.463	59%	0.593	S	S	.	*	H	α-helix	trans	-69.6	-33.8	174.1	0	0	0	0	0	112.8	S499 Q500	S499-A503 VanDerWaalsContact O-CB 3.29Å; S499-A503 WeakPolarHBondContact O-CB 3.43Å; S499-A503 PolarHBondContact O-N 3.47Å; Q500-A503 PolarHBondContact O-N 3.2Å
504	A	68.1	Low	73.6	Confident	52 Å²	52	123.8 Å²	123.8	43%	0.43	60%	0.599	S	S	.	*	H	α-helix	trans	-70.5	-40	173.7	0	0	0	0	0	111.6	Q500 Q501 K506 K507 F508	Q500-A504 VanDerWaalsContact O-CB 3.3Å; Q500-A504 WeakPolarHBondContact O-CB 3.44Å; Q500-A504 PolarHBondContact O-N 3.03Å; Q501-A504 PolarHBondContact O-N 3.49Å; A504-K506 VanDerWaalsContact C-N 3.31Å; A504-K506 PolarHBondContact O-N 2.82Å; A504-K507 PolarHBondContact O-N 3.02Å; A504-F508 WeakPolarHBondContact O-CD2 3.49Å
505	A	62	Low	72.3	Confident	56 Å²	56	122.5 Å²	122.5	46%	0.463	60%	0.602	S	S	.	*	H	α-helix	trans	-64.8	-32.9	176.5	0	0	0	0	0	112.6	Q501 E502 K507 F508	Q501-A505 WeakPolarHBondContact O-CB 3.5Å; Q501-A505 PolarHBondContact O-N 2.95Å; E502-A505 PolarHBondContact O-N 3.38Å; A505-K507 VanDerWaalsContact C-N 3.28Å; A505-K507 PolarHBondContact O-N 2.99Å; A505-F508 PolarHBondContact O-N 3.3Å
506	K	58.9	Low	71.1	Confident	165 Å²	165	125.7 Å²	125.7	72%	0.717	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-72.9	-11.3	175.5	-75.7	179.4	-178.3	178	0	114.9	E502 A504 F508	E502-K506 WeakPolarHBondContact O-CG 3.22Å; E502-K506 PolarHBondContact O-N 3.03Å; E502-K506 VanDerWaalsContact O-N 3.14Å; A504-K506 VanDerWaalsContact C-N 3.31Å; A504-K506 PolarHBondContact O-N 2.82Å; K506-F508 VanDerWaalsContact C-N 3.31Å
507	K	55.1	Low	69.8	Low	185 Å²	185	125.2 Å²	125.2	80%	0.804	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-84.4	-2.8	173.7	-80.1	-174.4	176.3	-178.3	0	113.9	A504 A505	A504-K507 PolarHBondContact O-N 3.02Å; A505-K507 VanDerWaalsContact C-N 3.28Å; A505-K507 PolarHBondContact O-N 2.99Å
508	F	50.9	Low	68.1	Low	184 Å²	184	123.9 Å²	123.9	81%	0.807	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-111.6	12.7	179.6	-73	-79.1	0	0	0	113.7	A504 A505 K506	A504-F508 WeakPolarHBondContact O-CD2 3.49Å; A505-F508 PolarHBondContact O-N 3.3Å; K506-F508 VanDerWaalsContact C-N 3.31Å
509	F	44.3	Very low	66.5	Low	254 Å²	254	125.7 Å²	125.7	100%	1.114	63%	0.634	S	S	*	*			trans	-116.4	0	169.1	-79.9	-78.7	0	0	0	111.2

Retrieved 509 of 509 residues in 286.4 ms (Link to these results)

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