A0A077Z7E1_TRITR Loading...

Moulting cycle domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7E1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 676 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	37.9	Very low	32.4	Very low	159 Å²	159	129.2 Å²	129.2	78%	0.783	63%	0.631	S	S	*	*				0	17.1	0	-133.5	-176.7	-107.2	0	0	113.1	F400	M1-F400 HydrophobicContact CE-CE1 4.3Å; M1-F400 HydrophobicContact CG-CE1 4.38Å; M1-F400 HydrophobicContact SD-CE1 4.38Å
2	L	30.8	Very low	32.2	Very low	78 Å²	78	129.5 Å²	129.5	41%	0.408	65%	0.646	S	S	.	*			trans	-132.3	-3.7	-161.5	-89.5	148.7	0	0	0	118.1	V51	L2-V51 HydrophobicContact CD1-CB 4.38Å; L2-V51 HydrophobicContact CD1-CG1 4.27Å; L2-V51 HydrophobicContact CD1-CG2 3.41Å; L2-V51 VanDerWaalsContact CD1-CG2 3.41Å; L2-V51 HydrophobicContact CD2-CG2 4.39Å; L2-V51 HydrophobicContact CG-CG2 4.42Å
3	L	36.3	Very low	31.8	Very low	49 Å²	49	124.7 Å²	124.7	26%	0.257	63%	0.632	S	S	.	*	S	Bend	trans	-110.8	4.1	-165.5	-75	145.5	0	0	0	115.8	L6 Y432 P444 F445	L3-L6 HydrophobicContact CD2-CD1 4.04Å; L3-Y432 HydrophobicContact CB-CE1 4.23Å; L3-P444 HydrophobicContact CD2-CG 3.27Å; L3-F445 HydrophobicContact CD1-CD1 3.68Å; L3-F445 HydrophobicContact CD1-CE1 3.36Å
4	Q	35.8	Very low	31.8	Very low	40 Å²	40	120.9 Å²	120.9	19%	0.187	61%	0.609	C	S	.	*	S	Bend	trans	-98.3	-10.6	-175.1	-70.9	-165.7	-55	0	0	116.1	L431 Y432 N436 F438 V440	Q4-L431 PolarHBondContact NE2-O 3Å; Q4-Y432 HydrophobicContact CG-CD1 4.16Å; Q4-Y432 HydrophobicContact CG-CE1 3.74Å; Q4-N436 PolarHBondContact NE2-ND2 3.34Å; Q4-F438 VanDerWaalsContact CD-CB 3.47Å; Q4-F438 VanDerWaalsContact OE1-CD2 3.22Å; Q4-F438 VanDerWaalsContact OE1-CG 3.24Å; Q4-V440 HydrophobicContact CB-CB 4.09Å; Q4-V440 HydrophobicContact CB-CG1 4.47Å; Q4-V440 HydrophobicContact CB-CG2 3.26Å; Q4-V440 HydrophobicContact CG-CB 3.34Å; Q4-V440 HydrophobicContact CG-CG1 3.83Å; Q4-V440 HydrophobicContact CG-CG2 3.07Å
5	F	35.4	Very low	31.7	Very low	176 Å²	176	122.3 Å²	122.3	77%	0.772	60%	0.604	S	S	*	*	S	Bend	trans	-96	-3.5	179.1	-74.2	-77.5	0	0	0	114.2	K7 L44	F5-K7 PolarHBondContact O-N 3.39Å; F5-L44 HydrophobicContact CB-CD1 3.6Å
6	L	33.6	Very low	31.9	Very low	107 Å²	107	120.6 Å²	120.6	56%	0.56	60%	0.597	S	S	*	*	S	Bend	trans	-80.6	20.7	-170.8	-74.2	168.1	0	0	0	115.3	L3	L3-L6 HydrophobicContact CD2-CD1 4.04Å
7	K	28.8	Very low	31.7	Very low	135 Å²	135	119.3 Å²	119.3	59%	0.587	59%	0.589	S	S	*	*			trans	-143.7	62.3	-168.8	-141.9	-179.3	178	-137.9	0	115	F5 K442	F5-K7 PolarHBondContact O-N 3.39Å; K7-K442 HydrophobicContact CD-CB 4.38Å; K7-K442 VanDerWaalsContact NZ-CE 3.28Å
8	K	32.7	Very low	31.7	Very low	211 Å²	211	119.5 Å²	119.5	92%	0.917	60%	0.598	S	S	*	*	S	Bend	trans	-161.8	122.4	156.5	-117.7	177.1	178.3	-174	0	112.3
9	G	29.3	Very low	31.6	Very low	72 Å²	72	118.7 Å²	118.7	74%	0.742	61%	0.612	S	S	*	*			trans	74.3	103.3	166.9	0	0	0	0	0	115.2
10	R	27.2	Very low	31.4	Very low	241 Å²	241	117.8 Å²	117.8	91%	0.909	62%	0.617	S	S	*	*				37.7	77.2	50.9	-78.8	-167.3	-168.6	169.9	2.3	113.3
11	N	29	Very low	31.4	Very low	153 Å²	153	119.6 Å²	119.6	82%	0.818	62%	0.622	S	S	*	*				163.3	126.4	124.7	-87.3	-11.3	0	0	0	112.7
12	V	29.1	Very low	31	Very low	133 Å²	133	122.5 Å²	122.5	81%	0.806	62%	0.624	S	S	*	*			trans	76.4	80.9	147.5	-168.3	0	0	0	0	119
13	S	27.6	Very low	30.9	Very low	67 Å²	67	130.7 Å²	130.7	47%	0.469	65%	0.65	S	S	.	*				25.6	125.3	114.2	-141.8	0	0	0	0	120.6
14	K	32.3	Very low	30.8	Very low	71 Å²	71	137.9 Å²	137.9	31%	0.309	68%	0.679	S	S	.	*			trans	124.6	133.9	130.2	-63.9	-163.6	167	-171.6	0	119.3	T477 R478 T479 R481	K14-T477 WeakPolarHBondContact CE-O 3.18Å; K14-T477 VanDerWaalsContact CE-OG1 3.26Å; K14-T477 WeakPolarHBondContact CE-OG1 3.33Å; K14-T477 WeakPolarHBondContact CG-O 3.43Å; K14-T477 PolarHBondContact NZ-OG1 3.36Å; K14-R478 VanDerWaalsContact CD-C 3.47Å; K14-T479 VanDerWaalsContact CB-N 3.31Å; K14-T479 WeakPolarHBondContact CB-OG1 3.42Å; K14-T479 HydrophobicContact CD-CG2 3.15Å; K14-T479 VanDerWaalsContact CD-N 3.34Å; K14-T479 WeakPolarHBondContact CD-OG1 3.46Å; K14-T479 HydrophobicContact CG-CG2 4.37Å; K14-T479 WeakPolarHBondContact CG-OG1 3.32Å; K14-R481 PolarHBondContact O-NH2 3.08Å
15	R	29.7	Very low	30.7	Very low	142 Å²	142	142.3 Å²	142.3	54%	0.536	71%	0.708	S	S	.	*			trans	-144	-174.8	-162.5	-168	-156.3	-179.7	-165.8	10.3	106.6	R478 T479	R15-R478 HydrophobicContact CB-CG 3.65Å; R15-R478 VanDerWaalsContact CG-CZ 3.47Å; R15-R478 CarbonylContact O-C 3.47Å; R15-R478 WeakPolarHBondContact O-CA 3Å; R15-R478 WeakPolarHBondContact O-CB 3.4Å; R15-R478 VanDerWaalsContact O-CD 3.27Å; R15-R478 WeakPolarHBondContact O-CD 3.26Å; R15-R478 WeakPolarHBondContact O-CG 3.32Å; R15-T479 PolarHBondContact O-N 3.49Å
16	I	34.3	Very low	30.7	Very low	96 Å²	96	138.7 Å²	138.7	49%	0.492	70%	0.703	S	S	.	*			trans	113.3	99.7	170.3	-101.5	149.2	0	0	0	109.3	R478	I16-R478 VanDerWaalsContact CA-CZ 3.44Å; I16-R478 HydrophobicContact CB-CB 4.02Å; I16-R478 VanDerWaalsContact CB-CD 3.44Å; I16-R478 HydrophobicContact CB-CG 4.27Å; I16-R478 HydrophobicContact CD1-CB 3.48Å; I16-R478 VanDerWaalsContact CD1-CB 3.48Å; I16-R478 HydrophobicContact CD1-CG 3.98Å; I16-R478 HydrophobicContact CG1-CB 4.07Å; I16-R478 HydrophobicContact CG1-CG 4.21Å; I16-R478 VanDerWaalsContact N-CZ 3.31Å
17	E	28.7	Very low	30.6	Very low	98 Å²	98	136.3 Å²	136.3	46%	0.458	70%	0.698	S	S	.	*				65.6	111.2	77.6	-80.6	168.4	-160.7	0	0	114.1	K79 R478	E17-K79 IonicContact OE1-NZ 2.73Å; E17-K79 PolarHBondContact OE1-NZ 2.64Å; E17-K79 IonicContact OE2-NZ 3.21Å; E17-R478 IonicContact OE1-CZ 2.63Å; E17-R478 IonicContact OE1-NH1 3.47Å; E17-R478 PolarHBondContact OE1-NH1 3.42Å; E17-R478 IonicContact OE1-NH2 3.62Å; E17-R478 PolarHBondContact OE1-NH2 2.87Å; E17-R478 IonicContact OE2-CZ 2.62Å; E17-R478 IonicContact OE2-NH1 3.8Å; E17-R478 PolarHBondContact OE2-NH1 3.47Å; E17-R478 IonicContact OE2-NH2 2.74Å
18	T	33	Very low	30.9	Very low	123 Å²	123	137.3 Å²	137.3	76%	0.755	70%	0.699	S	S	*	*			trans	-127	128.5	139.9	43.6	0	0	0	0	108
19	A	28.9	Very low	31.2	Very low	105 Å²	105	136.7 Å²	136.7	87%	0.868	69%	0.693	S	S	*	*			trans	-77.1	130.1	173.5	0	0	0	0	0	109.2
20	S	28	Very low	31.6	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	69%	0.693	S	S	*	*			trans	-164.7	147.3	137.5	-164.6	0	0	0	0	108.4
21	E	31.1	Very low	32.4	Very low	156 Å²	156	131.2 Å²	131.2	73%	0.729	67%	0.668	S	S	*	*			trans	87	90.4	160.3	-72.6	161.8	-169.3	0	0	120.3
22	R	29.2	Very low	33.2	Very low	220 Å²	220	131.2 Å²	131.2	83%	0.83	66%	0.661	S	S	*	*				64.2	101.1	123.8	-65.1	177.4	-171.5	-162.6	3	117.4	K24	R22-K24 PolarHBondContact O-N 2.62Å
23	R	29	Very low	34.1	Very low	249 Å²	249	132.3 Å²	132.3	94%	0.94	66%	0.657	S	S	*	*			trans	45.5	73.4	132.6	-63.7	-177.7	178.2	172	-0.6	116
24	K	33.8	Very low	35.3	Very low	201 Å²	201	138.1 Å²	138.1	87%	0.874	68%	0.677	S	S	*	*			trans	-144.1	125.5	150.1	-70.2	-169.9	-179.7	171.5	0	109.4	R22	R22-K24 PolarHBondContact O-N 2.62Å
25	V	33.1	Very low	36.5	Very low	133 Å²	133	138 Å²	138	81%	0.806	68%	0.677	S	S	*	*			trans	-49.5	128.2	172.2	-178.7	0	0	0	0	108.4	A27	V25-A27 PolarHBondContact O-N 3.12Å
26	P	36.7	Very low	37.8	Very low	100 Å²	100	133.8 Å²	133.8	65%	0.649	67%	0.67	S	S	*	*			trans	-70.4	103.9	175.3	27.3	-29.5	0	0	0	108.5
27	A	32.2	Very low	39.2	Very low	57 Å²	57	134.5 Å²	134.5	47%	0.471	67%	0.674	S	S	.	*			trans	-66.7	128.5	165.5	0	0	0	0	0	109.1	V25	V25-A27 PolarHBondContact O-N 3.12Å
28	Y	34.4	Very low	41	Very low	156 Å²	156	135.7 Å²	135.7	61%	0.612	68%	0.68	S	S	*	*			trans	19.8	118.6	163.4	36.4	-95.1	0	0	0	118.6	V30 F368	Y28-V30 PolarHBondContact O-N 2.66Å; Y28-F368 HydrophobicContact CD1-CD1 4.04Å; Y28-F368 AromaticContact CD1-CE1 3.81Å; Y28-F368 HydrophobicContact CD1-CE1 3.81Å; Y28-F368 AromaticContact CD2-CE1 3.94Å; Y28-F368 HydrophobicContact CD2-CE1 3.94Å; Y28-F368 HydrophobicContact CD2-CZ 4.37Å; Y28-F368 AromaticContact CE1-CD1 3.93Å; Y28-F368 HydrophobicContact CE1-CD1 3.93Å; Y28-F368 HydrophobicContact CE1-CE1 4Å; Y28-F368 HydrophobicContact CE2-CE1 4.13Å; Y28-F368 HydrophobicContact CE2-CZ 4.48Å; Y28-F368 HydrophobicContact CG-CD1 4.47Å; Y28-F368 AromaticContact CG-CE1 3.79Å; Y28-F368 HydrophobicContact CG-CE1 3.79Å
29	Y	39.5	Very low	42.4	Very low	197 Å²	197	130.4 Å²	130.4	77%	0.773	65%	0.647	S	S	*	*			trans	-78.1	117.1	168.3	-63.9	-83	0	0	0	110.3
30	V	37.7	Very low	44.1	Very low	123 Å²	123	127.8 Å²	127.8	75%	0.745	62%	0.622	S	S	*	*			trans	-85.3	113.3	168.7	-179	0	0	0	0	107.8	Y28	Y28-V30 PolarHBondContact O-N 2.66Å
31	I	42.2	Very low	46	Very low	76 Å²	76	127.2 Å²	127.2	39%	0.39	61%	0.611	S	S	.	*			trans	-81.5	122.5	-178.9	-60.9	150.3	0	0	0	108.6	E35 L39	I31-E35 HydrophobicContact CG2-CB 4.44Å; I31-L39 HydrophobicContact CD1-CD1 3.56Å; I31-L39 HydrophobicContact CD1-CD2 4.14Å; I31-L39 HydrophobicContact CD1-CG 4.41Å; I31-L39 HydrophobicContact CG1-CD1 4.47Å; I31-L39 HydrophobicContact CG2-CD2 4.41Å
32	K	47.2	Very low	47.8	Very low	153 Å²	153	124.7 Å²	124.7	67%	0.665	60%	0.599	S	S	*	*			trans	-76.5	154.4	177	-71.9	179.9	178.7	178.8	0	110.9	E34 E35	K32-E34 PolarHBondContact O-N 3.36Å; K32-E35 PolarHBondContact O-N 3.47Å
33	E	47.1	Very low	49.7	Very low	155 Å²	155	116.8 Å²	116.8	72%	0.724	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-21.7	-168.3	-72.1	-171.2	152.4	0	0	115.8	K386	E33-K386 VanDerWaalsContact CB-NZ 3.31Å; E33-K386 PolarHBondContact O-NZ 2.91Å
34	E	53	Low	51.6	Low	189 Å²	189	107.2 Å²	107.2	88%	0.883	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-6	-173.5	-63.3	177.5	166.8	0	0	113.9	K32 S36	K32-E34 PolarHBondContact O-N 3.36Å; E34-S36 PolarHBondContact O-N 3.14Å
35	E	57.7	Low	53.4	Low	69 Å²	69	103.8 Å²	103.8	32%	0.322	53%	0.525	S	S	.	.			trans	-99.6	32.2	-168.8	-70	172.9	-177.8	0	0	113.9	I31 K32 D37 E38 L39	I31-E35 HydrophobicContact CG2-CB 4.44Å; K32-E35 PolarHBondContact O-N 3.47Å; E35-D37 PolarHBondContact O-N 2.95Å; E35-D37 VanDerWaalsContact O-N 3.17Å; E35-E38 HydrophobicContact CB-CB 4.19Å; E35-E38 HydrophobicContact CB-CG 4.4Å; E35-E38 PolarHBondContact O-N 3.35Å; E35-E38 VanDerWaalsContact O-N 3.13Å; E35-L39 PolarHBondContact O-N 3.31Å
36	S	57	Low	55.5	Low	54 Å²	54	102.2 Å²	102.2	38%	0.378	51%	0.509	S	S	.	.	H	α-helix	trans	-58.3	-34.7	-176.5	65.7	0	0	0	0	113.3	E34 S40	E34-S36 PolarHBondContact O-N 3.14Å; S36-S40 WeakPolarHBondContact O-CB 3.29Å; S36-S40 PolarHBondContact O-N 2.97Å
37	D	64.2	Low	57.3	Low	110 Å²	110	99.3 Å²	99.3	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-74	-38.3	179.5	-70.7	-8.2	0	0	0	111.4	E35 S40 N41	E35-D37 PolarHBondContact O-N 2.95Å; E35-D37 VanDerWaalsContact O-N 3.17Å; D37-S40 PolarHBondContact O-N 3.17Å; D37-S40 PolarHBondContact O-OG 3.38Å; D37-N41 WeakPolarHBondContact O-CB 3.39Å; D37-N41 VanDerWaalsContact O-CG 3.32Å; D37-N41 PolarHBondContact O-N 3.26Å; D37-N41 PolarHBondContact O-ND2 3.29Å; D37-N41 VanDerWaalsContact O-ND2 3.15Å
38	E	65.4	Low	59.3	Low	123 Å²	123	99.9 Å²	99.9	58%	0.575	49%	0.487	S	S	*	.	H	α-helix	trans	-65.4	-42.1	174.4	-59.6	-162.6	160.8	0	0	111.6	E35 S40 N41 H42	E35-E38 HydrophobicContact CB-CB 4.19Å; E35-E38 HydrophobicContact CB-CG 4.4Å; E35-E38 PolarHBondContact O-N 3.35Å; E35-E38 VanDerWaalsContact O-N 3.13Å; E38-S40 VanDerWaalsContact C-N 3.35Å; E38-S40 PolarHBondContact O-N 3.43Å; E38-N41 PolarHBondContact O-N 3.16Å; E38-H42 WeakPolarHBondContact O-CB 3.23Å; E38-H42 PolarHBondContact O-N 3.21Å
39	L	63.1	Low	61.4	Low	13 Å²	13	94.9 Å²	94.9	7%	0.068	47%	0.473	C	S	.	.	H	α-helix	trans	-61.7	-43.7	174.3	-178.8	56.6	0	0	0	111.2	I31 E35 N41 H42 L43 V379 L383	I31-L39 HydrophobicContact CD1-CD1 3.56Å; I31-L39 HydrophobicContact CD1-CD2 4.14Å; I31-L39 HydrophobicContact CD1-CG 4.41Å; I31-L39 HydrophobicContact CG1-CD1 4.47Å; I31-L39 HydrophobicContact CG2-CD2 4.41Å; E35-L39 PolarHBondContact O-N 3.31Å; L39-N41 VanDerWaalsContact C-N 3.32Å; L39-N41 PolarHBondContact O-N 3.05Å; L39-H42 PolarHBondContact O-N 3.38Å; L39-L43 HydrophobicContact CD1-CD1 4.31Å; L39-L43 HydrophobicContact CD1-CG 4.23Å; L39-L43 HydrophobicContact CG-CD1 4.2Å; L39-L43 WeakPolarHBondContact O-CB 3.29Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.3Å; L39-L43 PolarHBondContact O-N 2.93Å; L39-V379 HydrophobicContact CD1-CG1 4.07Å; L39-V379 HydrophobicContact CD2-CG1 3.98Å; L39-V379 HydrophobicContact CG-CG1 4.32Å; L39-L383 HydrophobicContact CB-CD2 4.48Å; L39-L383 HydrophobicContact CD2-CD1 4.03Å; L39-L383 HydrophobicContact CD2-CD2 3.51Å; L39-L383 HydrophobicContact CD2-CG 3.76Å; L39-L383 HydrophobicContact CG-CD1 4.1Å; L39-L383 HydrophobicContact CG-CD2 4.1Å; L39-L383 HydrophobicContact CG-CG 4.36Å
40	S	64.6	Low	63.4	Low	49 Å²	49	88.6 Å²	88.6	34%	0.343	46%	0.455	S	S	.	.	H	α-helix	trans	-61	-41.4	176.4	80	0	0	0	0	112.2	S36 D37 E38 L43 L44	S36-S40 WeakPolarHBondContact O-CB 3.29Å; S36-S40 PolarHBondContact O-N 2.97Å; D37-S40 PolarHBondContact O-N 3.17Å; D37-S40 PolarHBondContact O-OG 3.38Å; E38-S40 VanDerWaalsContact C-N 3.35Å; E38-S40 PolarHBondContact O-N 3.43Å; S40-L43 PolarHBondContact O-N 2.88Å; S40-L44 WeakPolarHBondContact O-CB 3.28Å; S40-L44 PolarHBondContact O-N 3.23Å
41	N	67.2	Low	65.4	Low	89 Å²	89	85.3 Å²	85.3	48%	0.476	44%	0.435	S	S	.	.	H	α-helix	trans	-68.1	-38.2	176.7	-76.5	-36.3	0	0	0	112	D37 E38 L39 L44 K45	D37-N41 WeakPolarHBondContact O-CB 3.39Å; D37-N41 VanDerWaalsContact O-CG 3.32Å; D37-N41 PolarHBondContact O-N 3.26Å; D37-N41 PolarHBondContact O-ND2 3.29Å; D37-N41 VanDerWaalsContact O-ND2 3.15Å; E38-N41 PolarHBondContact O-N 3.16Å; L39-N41 VanDerWaalsContact C-N 3.32Å; L39-N41 PolarHBondContact O-N 3.05Å; N41-L44 PolarHBondContact O-N 2.93Å; N41-K45 VanDerWaalsContact O-CG 3.29Å; N41-K45 WeakPolarHBondContact O-CG 3.45Å; N41-K45 PolarHBondContact O-N 3.32Å
42	H	69.5	Low	67.5	Low	103 Å²	103	82 Å²	82	48%	0.477	42%	0.418	S	S	.	.	H	α-helix	trans	-64.6	-48.2	175.5	-179	-81.9	0	0	0	111.1	E38 L39 L44 K45 Q46	E38-H42 WeakPolarHBondContact O-CB 3.23Å; E38-H42 PolarHBondContact O-N 3.21Å; L39-H42 PolarHBondContact O-N 3.38Å; H42-L44 VanDerWaalsContact C-N 3.28Å; H42-L44 PolarHBondContact O-N 3Å; H42-K45 WeakPolarHBondContact O-CB 3.37Å; H42-K45 PolarHBondContact O-N 3.24Å; H42-Q46 WeakPolarHBondContact O-CB 3.39Å; H42-Q46 PolarHBondContact O-N 3.34Å
43	L	68.2	Low	69.2	Low	53 Å²	53	76.6 Å²	76.6	28%	0.277	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-37.7	176.7	-70.4	171.4	0	0	0	111.9	L39 S40 Q46 A47 V379 L383	L39-L43 HydrophobicContact CD1-CD1 4.31Å; L39-L43 HydrophobicContact CD1-CG 4.23Å; L39-L43 HydrophobicContact CG-CD1 4.2Å; L39-L43 WeakPolarHBondContact O-CB 3.29Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.3Å; L39-L43 PolarHBondContact O-N 2.93Å; S40-L43 PolarHBondContact O-N 2.88Å; L43-Q46 PolarHBondContact O-N 2.76Å; L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.4Å; L43-A47 PolarHBondContact O-N 2.73Å; L43-V379 HydrophobicContact CD1-CG1 3.85Å; L43-V379 HydrophobicContact CD2-CG1 4.18Å; L43-V379 HydrophobicContact CG-CG1 4.49Å; L43-L383 HydrophobicContact CD1-CD1 3.28Å
44	L	70.6	Confident	70.9	Confident	48 Å²	48	71.6 Å²	71.6	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-44.7	174.6	-175.4	142.6	0	0	0	111.7	F5 S40 N41 H42 A47 Q48	F5-L44 HydrophobicContact CB-CD1 3.6Å; S40-L44 WeakPolarHBondContact O-CB 3.28Å; S40-L44 PolarHBondContact O-N 3.23Å; N41-L44 PolarHBondContact O-N 2.93Å; H42-L44 VanDerWaalsContact C-N 3.28Å; H42-L44 PolarHBondContact O-N 3Å; L44-A47 PolarHBondContact O-N 3.06Å; L44-Q48 WeakPolarHBondContact O-CG 3.34Å; L44-Q48 PolarHBondContact O-N 2.62Å
45	K	70.4	Confident	72.4	Confident	129 Å²	129	62.9 Å²	62.9	56%	0.561	34%	0.337	S	S	*	.	H	α-helix	trans	-62	-43.9	174.2	-73	170.2	-176.3	174.3	0	111.4	N41 H42 A47 Q48 V49	N41-K45 VanDerWaalsContact O-CG 3.29Å; N41-K45 WeakPolarHBondContact O-CG 3.45Å; N41-K45 PolarHBondContact O-N 3.32Å; H42-K45 WeakPolarHBondContact O-CB 3.37Å; H42-K45 PolarHBondContact O-N 3.24Å; K45-A47 VanDerWaalsContact C-N 3.33Å; K45-A47 PolarHBondContact O-N 3.21Å; K45-Q48 PolarHBondContact O-N 3.41Å; K45-V49 WeakPolarHBondContact O-CG2 3.38Å; K45-V49 PolarHBondContact O-N 3.34Å
46	Q	77.1	Confident	73.8	Confident	100 Å²	100	59.7 Å²	59.7	47%	0.467	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-42.9	177.2	-171.5	175.8	-6.6	0	0	110.9	H42 L43 Q48 V49 T50	H42-Q46 WeakPolarHBondContact O-CB 3.39Å; H42-Q46 PolarHBondContact O-N 3.34Å; L43-Q46 PolarHBondContact O-N 2.76Å; Q46-Q48 VanDerWaalsContact C-N 3.35Å; Q46-Q48 PolarHBondContact O-N 3.46Å; Q46-V49 PolarHBondContact O-N 3.15Å; Q46-T50 VanDerWaalsContact O-CG2 3.26Å; Q46-T50 WeakPolarHBondContact O-CG2 3.32Å; Q46-T50 PolarHBondContact O-N 2.93Å; Q46-T50 PolarHBondContact O-OG1 3.25Å
47	A	74.2	Confident	75	Confident	40 Å²	40	61.7 Å²	61.7	33%	0.331	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-36.3	175.8	0	0	0	0	0	113	L43 L44 K45 T50 V51	L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.4Å; L43-A47 PolarHBondContact O-N 2.73Å; L44-A47 PolarHBondContact O-N 3.06Å; K45-A47 VanDerWaalsContact C-N 3.33Å; K45-A47 PolarHBondContact O-N 3.21Å; A47-T50 WeakPolarHBondContact CA-OG1 3.34Å; A47-T50 PolarHBondContact O-OG1 3.09Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.17Å
48	Q	74.3	Confident	75.8	Confident	69 Å²	69	58.7 Å²	58.7	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-66.1	-45.2	173.5	-72.2	174	-12.5	0	0	111.4	L44 K45 Q46 V51 L52 A81	L44-Q48 WeakPolarHBondContact O-CG 3.34Å; L44-Q48 PolarHBondContact O-N 2.62Å; K45-Q48 PolarHBondContact O-N 3.41Å; Q46-Q48 VanDerWaalsContact C-N 3.35Å; Q46-Q48 PolarHBondContact O-N 3.46Å; Q48-V51 PolarHBondContact O-N 3.32Å; Q48-L52 WeakPolarHBondContact O-CG 3.49Å; Q48-L52 PolarHBondContact O-N 3.2Å; Q48-L52 VanDerWaalsContact O-N 3.09Å; Q48-A81 HydrophobicContact CB-CB 4.04Å
49	V	80.3	Confident	76.6	Confident	51 Å²	51	53.1 Å²	53.1	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-38.7	179.4	174.6	0	0	0	0	111.4	K45 Q46 V51 L52 S53 A81 Y84	K45-V49 WeakPolarHBondContact O-CG2 3.38Å; K45-V49 PolarHBondContact O-N 3.34Å; Q46-V49 PolarHBondContact O-N 3.15Å; V49-V51 VanDerWaalsContact C-N 3.33Å; V49-V51 PolarHBondContact O-N 3.49Å; V49-L52 PolarHBondContact O-N 3.12Å; V49-S53 WeakPolarHBondContact O-CB 3.45Å; V49-S53 PolarHBondContact O-N 3.28Å; V49-A81 HydrophobicContact CG2-CB 4.21Å; V49-Y84 HydrophobicContact CG1-CD2 4.45Å
50	T	79.9	Confident	77.6	Confident	64 Å²	64	53.3 Å²	53.3	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-41	176.8	55.4	0	0	0	0	111.4	Q46 A47 S53 I54	Q46-T50 VanDerWaalsContact O-CG2 3.26Å; Q46-T50 WeakPolarHBondContact O-CG2 3.32Å; Q46-T50 PolarHBondContact O-N 2.93Å; Q46-T50 PolarHBondContact O-OG1 3.25Å; A47-T50 WeakPolarHBondContact CA-OG1 3.34Å; A47-T50 PolarHBondContact O-OG1 3.09Å; T50-S53 WeakPolarHBondContact CA-OG 3.4Å; T50-S53 PolarHBondContact O-N 3.39Å; T50-S53 PolarHBondContact O-OG 3.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.4Å; T50-I54 PolarHBondContact O-N 3.32Å
51	V	80.5	Confident	78.3	Confident	54 Å²	54	58.5 Å²	58.5	33%	0.327	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-47.7	176.2	175	0	0	0	0	110.9	L2 A47 Q48 V49 S53 I54 V55	L2-V51 HydrophobicContact CD1-CB 4.38Å; L2-V51 HydrophobicContact CD1-CG1 4.27Å; L2-V51 HydrophobicContact CD1-CG2 3.41Å; L2-V51 VanDerWaalsContact CD1-CG2 3.41Å; L2-V51 HydrophobicContact CD2-CG2 4.39Å; L2-V51 HydrophobicContact CG-CG2 4.42Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.17Å; Q48-V51 PolarHBondContact O-N 3.32Å; V49-V51 VanDerWaalsContact C-N 3.33Å; V49-V51 PolarHBondContact O-N 3.49Å; V51-S53 PolarHBondContact O-N 3.49Å; V51-I54 PolarHBondContact O-N 3.22Å; V51-V55 WeakPolarHBondContact O-CG2 3.04Å; V51-V55 PolarHBondContact O-N 3.5Å; V51-V55 VanDerWaalsContact O-N 3.09Å
52	L	85.8	Confident	78.6	Confident	8 Å²	8	59 Å²	59	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-36.1	175.6	-67.6	172.9	0	0	0	111.7	Q48 V49 V55 A56 A81 Y84 A85 V466	Q48-L52 WeakPolarHBondContact O-CG 3.49Å; Q48-L52 PolarHBondContact O-N 3.2Å; Q48-L52 VanDerWaalsContact O-N 3.09Å; V49-L52 PolarHBondContact O-N 3.12Å; L52-V55 PolarHBondContact O-N 2.9Å; L52-A56 WeakPolarHBondContact O-CB 3.45Å; L52-A56 PolarHBondContact O-N 3.39Å; L52-A81 HydrophobicContact CD1-CB 3.92Å; L52-A81 VanDerWaalsContact CD1-O 3.26Å; L52-A81 WeakPolarHBondContact CD1-O 3.46Å; L52-Y84 HydrophobicContact CB-CD1 3.51Å; L52-Y84 HydrophobicContact CB-CE1 3.63Å; L52-Y84 HydrophobicContact CD1-CD1 4Å; L52-Y84 HydrophobicContact CG-CD1 4.36Å; L52-A85 HydrophobicContact CD1-CB 4.27Å; L52-A85 HydrophobicContact CD2-CB 4.37Å; L52-V466 HydrophobicContact CD2-CB 4.4Å; L52-V466 HydrophobicContact CD2-CG1 3.61Å; L52-V466 HydrophobicContact CD2-CG2 3.99Å
53	S	83.7	Confident	79.1	Confident	39 Å²	39	55.3 Å²	55.3	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-67.1	-39	176.8	80.1	0	0	0	0	112.7	V49 T50 V51 A56 T57 Y84	V49-S53 WeakPolarHBondContact O-CB 3.45Å; V49-S53 PolarHBondContact O-N 3.28Å; T50-S53 WeakPolarHBondContact CA-OG 3.4Å; T50-S53 PolarHBondContact O-N 3.39Å; T50-S53 PolarHBondContact O-OG 3.27Å; V51-S53 PolarHBondContact O-N 3.49Å; S53-A56 VanDerWaalsContact O-CB 3.31Å; S53-A56 WeakPolarHBondContact O-CB 3.2Å; S53-A56 PolarHBondContact O-N 2.92Å; S53-T57 WeakPolarHBondContact O-CG2 3.16Å; S53-T57 PolarHBondContact O-N 2.74Å; S53-Y84 WeakPolarHBondContact CA-OH 3.44Å
54	I	82.9	Confident	79.8	Confident	49 Å²	49	55.3 Å²	55.3	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-45.4	175.4	-67.1	163.1	0	0	0	109.6	T50 V51 A56 T57 K58 K418 Y420	T50-I54 WeakPolarHBondContact O-CG1 3.4Å; T50-I54 PolarHBondContact O-N 3.32Å; V51-I54 PolarHBondContact O-N 3.22Å; I54-A56 VanDerWaalsContact C-N 3.3Å; I54-A56 PolarHBondContact O-N 3.25Å; I54-T57 PolarHBondContact O-N 3.42Å; I54-T57 PolarHBondContact O-OG1 3.46Å; I54-K58 PolarHBondContact O-N 3.16Å; I54-K418 WeakPolarHBondContact CG2-O 3.06Å; I54-Y420 HydrophobicContact CG2-CD1 3.65Å; I54-Y420 HydrophobicContact CG2-CE1 4.33Å
55	V	84.7	Confident	80.5	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-40.8	174.8	179.6	0	0	0	0	111.1	V51 L52 K58 A59 L92 L462 L463	V51-V55 WeakPolarHBondContact O-CG2 3.04Å; V51-V55 PolarHBondContact O-N 3.5Å; V51-V55 VanDerWaalsContact O-N 3.09Å; L52-V55 PolarHBondContact O-N 2.9Å; V55-K58 PolarHBondContact O-N 3.34Å; V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 3.29Å; V55-L92 HydrophobicContact CG1-CD2 4.34Å; V55-L462 HydrophobicContact CG1-CD2 4.22Å; V55-L462 HydrophobicContact CG2-CD2 3.71Å; V55-L463 HydrophobicContact CG1-CD2 4.12Å
56	A	85.8	Confident	81.2	Confident	2 Å²	2	58 Å²	58	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-47.2	176	0	0	0	0	0	112.3	L52 S53 I54 K58 A59 L60 F71 Y84 L88	L52-A56 WeakPolarHBondContact O-CB 3.45Å; L52-A56 PolarHBondContact O-N 3.39Å; S53-A56 VanDerWaalsContact O-CB 3.31Å; S53-A56 WeakPolarHBondContact O-CB 3.2Å; S53-A56 PolarHBondContact O-N 2.92Å; I54-A56 VanDerWaalsContact C-N 3.3Å; I54-A56 PolarHBondContact O-N 3.25Å; A56-K58 PolarHBondContact O-N 3.39Å; A56-A59 PolarHBondContact O-N 2.87Å; A56-A59 VanDerWaalsContact O-N 3.12Å; A56-L60 HydrophobicContact CB-CD1 4.38Å; A56-L60 WeakPolarHBondContact O-CB 3.5Å; A56-L60 VanDerWaalsContact O-CG 3.29Å; A56-L60 WeakPolarHBondContact O-CG 3.11Å; A56-L60 PolarHBondContact O-N 2.92Å; A56-F71 HydrophobicContact CB-CE1 3.9Å; A56-F71 HydrophobicContact CB-CE2 4.33Å; A56-F71 HydrophobicContact CB-CZ 3.52Å; A56-Y84 HydrophobicContact CB-CE1 4.4Å; A56-L88 HydrophobicContact CB-CD1 3.38Å
57	T	83.5	Confident	81.6	Confident	96 Å²	96	54.4 Å²	54.4	59%	0.589	30%	0.304	S	S	*	.	H	α-helix	trans	-60.4	-35.6	-179.3	60.4	0	0	0	0	111.9	S53 I54 K61	S53-T57 WeakPolarHBondContact O-CG2 3.16Å; S53-T57 PolarHBondContact O-N 2.74Å; I54-T57 PolarHBondContact O-N 3.42Å; I54-T57 PolarHBondContact O-OG1 3.46Å; T57-K61 PolarHBondContact O-N 3.37Å
58	K	80.7	Confident	82.1	Confident	47 Å²	47	59 Å²	59	20%	0.204	31%	0.313	C	S	.	.	H	α-helix	trans	-72.4	-44.1	174.6	-162.7	-176	167.2	179.4	0	111.4	I54 V55 A56 L60 K61 M95 Y420 E459	I54-K58 PolarHBondContact O-N 3.16Å; V55-K58 PolarHBondContact O-N 3.34Å; A56-K58 PolarHBondContact O-N 3.39Å; K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 PolarHBondContact O-N 3.41Å; K58-K61 PolarHBondContact O-N 3.38Å; K58-M95 HydrophobicContact CB-CE 3.91Å; K58-M95 HydrophobicContact CD-CE 4.05Å; K58-M95 HydrophobicContact CG-CE 3.58Å; K58-M95 VanDerWaalsContact O-CE 3.28Å; K58-M95 WeakPolarHBondContact O-CE 3.37Å; K58-Y420 HydrophobicContact CD-CE1 4.28Å; K58-Y420 PolarHBondContact NZ-OH 3.43Å; K58-E459 VanDerWaalsContact CE-OE1 3.3Å; K58-E459 WeakPolarHBondContact CE-OE1 3.37Å; K58-E459 IonicContact NZ-OE1 2.66Å; K58-E459 PolarHBondContact NZ-OE1 3.26Å; K58-E459 IonicContact NZ-OE2 3.95Å; K58-E459 PolarHBondContact NZ-OE2 3.03Å
59	A	81.5	Confident	82.7	Confident	7 Å²	7	60.8 Å²	60.8	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-35.1	178.9	0	0	0	0	0	113.2	V55 A56 M95	V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 3.29Å; A56-A59 PolarHBondContact O-N 2.87Å; A56-A59 VanDerWaalsContact O-N 3.12Å; A59-M95 VanDerWaalsContact CA-SD 3.54Å; A59-M95 HydrophobicContact CB-CE 4.12Å; A59-M95 HydrophobicContact CB-CG 4.45Å; A59-M95 HydrophobicContact CB-SD 3.66Å; A59-M95 VanDerWaalsContact N-CE 3.29Å
60	L	84	Confident	83.1	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.084	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.7	-175.5	-64.3	166.8	0	0	0	114	A56 K58 D62 S63 R68 F71 Y91	A56-L60 HydrophobicContact CB-CD1 4.38Å; A56-L60 WeakPolarHBondContact O-CB 3.5Å; A56-L60 VanDerWaalsContact O-CG 3.29Å; A56-L60 WeakPolarHBondContact O-CG 3.11Å; A56-L60 PolarHBondContact O-N 2.92Å; K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 PolarHBondContact O-N 3.41Å; L60-D62 VanDerWaalsContact C-N 3.26Å; L60-D62 PolarHBondContact O-N 3.23Å; L60-S63 WeakPolarHBondContact CA-OG 3.25Å; L60-S63 WeakPolarHBondContact CD2-OG 3.48Å; L60-S63 PolarHBondContact O-N 3.04Å; L60-S63 PolarHBondContact O-OG 3.17Å; L60-S63 VanDerWaalsContact O-OG 3.09Å; L60-R68 HydrophobicContact CB-CG 4.31Å; L60-F71 HydrophobicContact CD1-CB 4.02Å; L60-F71 HydrophobicContact CD1-CD1 3.22Å; L60-F71 HydrophobicContact CD1-CD2 4.16Å; L60-F71 HydrophobicContact CD1-CE1 3.63Å; L60-F71 HydrophobicContact CD1-CE2 4.5Å; L60-F71 HydrophobicContact CD1-CG 3.51Å; L60-F71 HydrophobicContact CD1-CZ 4.26Å; L60-F71 HydrophobicContact CD2-CB 4.22Å; L60-F71 HydrophobicContact CD2-CG 4.39Å; L60-Y91 HydrophobicContact CD2-CD1 4.08Å; L60-Y91 HydrophobicContact CD2-CD2 4.35Å; L60-Y91 HydrophobicContact CD2-CE1 4.47Å; L60-Y91 HydrophobicContact CD2-CG 4.01Å
61	K	80.4	Confident	83.5	Confident	159 Å²	159	61.9 Å²	61.9	69%	0.691	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.1	-176.7	-169.7	177.7	178.3	-178	0	112.4	T57 K58	T57-K61 PolarHBondContact O-N 3.37Å; K58-K61 PolarHBondContact O-N 3.38Å
62	D	73.1	Confident	83.8	Confident	100 Å²	100	62.1 Å²	62.1	54%	0.535	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	21.5	-178.9	-36.4	-43.6	0	0	0	112.1	L60 R98	L60-D62 VanDerWaalsContact C-N 3.26Å; L60-D62 PolarHBondContact O-N 3.23Å; D62-R98 VanDerWaalsContact CB-NH1 3.29Å; D62-R98 IonicContact OD2-CZ 3.68Å; D62-R98 IonicContact OD2-NE 2.83Å; D62-R98 IonicContact OD2-NH1 2.67Å; D62-R98 PolarHBondContact OD2-NH1 2.87Å; D62-R98 IonicContact OD2-NH2 2.85Å
63	S	79.2	Confident	83.9	Confident	24 Å²	24	65.6 Å²	65.6	17%	0.168	35%	0.346	C	S	.	.	S	Bend	trans	-87.9	158.2	174.2	69.1	0	0	0	0	111	L60 R68	L60-S63 WeakPolarHBondContact CA-OG 3.25Å; L60-S63 WeakPolarHBondContact CD2-OG 3.48Å; L60-S63 PolarHBondContact O-N 3.04Å; L60-S63 PolarHBondContact O-OG 3.17Å; L60-S63 VanDerWaalsContact O-OG 3.09Å; S63-R68 WeakPolarHBondContact OG-CG 3.36Å
64	S	84.1	Confident	84.1	Confident	54 Å²	54	66 Å²	66	38%	0.378	35%	0.348	S	S	.	.			trans	-60.9	155.6	176.2	63.8	0	0	0	0	111	E66 D67 R68	S64-E66 PolarHBondContact O-N 3.49Å; S64-D67 PolarHBondContact O-N 2.71Å; S64-D67 VanDerWaalsContact O-N 3.17Å; S64-D67 WeakPolarHBondContact OG-CB 3.46Å; S64-D67 VanDerWaalsContact OG-CG 3.22Å; S64-D67 PolarHBondContact OG-N 2.96Å; S64-D67 VanDerWaalsContact OG-N 3.16Å; S64-R68 WeakPolarHBondContact O-CG 3.46Å; S64-R68 PolarHBondContact O-N 3.03Å
65	T	84.3	Confident	84.2	Confident	107 Å²	107	64.6 Å²	64.6	66%	0.656	34%	0.344	S	S	*	.	H	α-helix	trans	-57.2	-34.6	173.6	47	0	0	0	0	111.6	R68 N69	T65-R68 PolarHBondContact O-N 3.44Å; T65-N69 VanDerWaalsContact O-CG 3.31Å; T65-N69 PolarHBondContact O-N 2.85Å
66	E	85.6	Confident	84.1	Confident	127 Å²	127	74.5 Å²	74.5	59%	0.593	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-47.1	173.5	-65.9	-179.6	-171.7	0	0	112.9	S64 R68 N69 K70	S64-E66 PolarHBondContact O-N 3.49Å; E66-R68 VanDerWaalsContact C-N 3.26Å; E66-R68 PolarHBondContact O-N 3.47Å; E66-N69 PolarHBondContact O-N 2.71Å; E66-K70 WeakPolarHBondContact O-CG 3.49Å; E66-K70 PolarHBondContact O-N 3.32Å
67	D	84.7	Confident	83.8	Confident	24 Å²	24	82 Å²	82	13%	0.128	42%	0.416	C	S	.	.	H	α-helix	trans	-60.8	-39.3	176.7	-78.6	-5.5	0	0	0	110.6	S64 K70 F71 Y91 K94	S64-D67 PolarHBondContact O-N 2.71Å; S64-D67 VanDerWaalsContact O-N 3.17Å; S64-D67 WeakPolarHBondContact OG-CB 3.46Å; S64-D67 VanDerWaalsContact OG-CG 3.22Å; S64-D67 PolarHBondContact OG-N 2.96Å; S64-D67 VanDerWaalsContact OG-N 3.16Å; D67-K70 PolarHBondContact O-N 3.13Å; D67-F71 WeakPolarHBondContact O-CB 3.22Å; D67-F71 PolarHBondContact O-N 3.46Å; D67-Y91 HydrophobicContact CB-CD1 4.41Å; D67-Y91 HydrophobicContact CB-CE1 3.68Å; D67-Y91 PolarHBondContact O-OH 2.95Å; D67-K94 IonicContact OD2-NZ 3.99Å; D67-K94 PolarHBondContact OD2-NZ 3.08Å
68	R	85.2	Confident	83.6	Confident	137 Å²	137	79 Å²	79	52%	0.517	40%	0.398	S	S	.	.	H	α-helix	trans	-65.8	-40.6	176.4	-69.2	177	60.3	173.9	-2.1	112.2	L60 S63 S64 T65 E66 S72	L60-R68 HydrophobicContact CB-CG 4.31Å; S63-R68 WeakPolarHBondContact OG-CG 3.36Å; S64-R68 WeakPolarHBondContact O-CG 3.46Å; S64-R68 PolarHBondContact O-N 3.03Å; T65-R68 PolarHBondContact O-N 3.44Å; E66-R68 VanDerWaalsContact C-N 3.26Å; E66-R68 PolarHBondContact O-N 3.47Å; R68-S72 WeakPolarHBondContact O-CB 3.38Å; R68-S72 PolarHBondContact O-N 3.13Å; R68-S72 PolarHBondContact O-OG 3.06Å
69	N	87.3	Confident	83.2	Confident	105 Å²	105	83 Å²	83	56%	0.561	42%	0.416	S	S	*	.	H	α-helix	trans	-66.6	-46.6	176.5	-72.5	-13.6	0	0	0	111.1	T65 E66 F71 S72 T73	T65-N69 VanDerWaalsContact O-CG 3.31Å; T65-N69 PolarHBondContact O-N 2.85Å; E66-N69 PolarHBondContact O-N 2.71Å; N69-F71 VanDerWaalsContact C-N 3.31Å; N69-F71 PolarHBondContact O-N 3.35Å; N69-S72 WeakPolarHBondContact CA-OG 3.27Å; N69-S72 PolarHBondContact O-N 3.16Å; N69-S72 VanDerWaalsContact O-N 3.09Å; N69-S72 PolarHBondContact O-OG 2.88Å; N69-T73 PolarHBondContact O-N 3.28Å; N69-T73 PolarHBondContact O-OG1 3.35Å
70	K	87.9	Confident	82.9	Confident	121 Å²	121	84.8 Å²	84.8	53%	0.526	43%	0.428	S	S	.	.	H	α-helix	trans	-59.5	-40.4	175.6	-71.9	174.5	-175.9	170.8	0	112.4	E66 D67 T73 C74	E66-K70 WeakPolarHBondContact O-CG 3.49Å; E66-K70 PolarHBondContact O-N 3.32Å; D67-K70 PolarHBondContact O-N 3.13Å; K70-T73 PolarHBondContact O-OG1 2.9Å; K70-C74 WeakPolarHBondContact O-CB 3.32Å; K70-C74 PolarHBondContact O-N 3.03Å
71	F	89.1	Confident	82.7	Confident	17 Å²	17	84.7 Å²	84.7	8%	0.075	43%	0.429	C	S	.	.	H	α-helix	trans	-65	-44.3	173.2	178.6	-96.4	0	0	0	111.6	A56 L60 D67 N69 T73 C74 A75 Y84 C87 L88 Y91	A56-F71 HydrophobicContact CB-CE1 3.9Å; A56-F71 HydrophobicContact CB-CE2 4.33Å; A56-F71 HydrophobicContact CB-CZ 3.52Å; L60-F71 HydrophobicContact CD1-CB 4.02Å; L60-F71 HydrophobicContact CD1-CD1 3.22Å; L60-F71 HydrophobicContact CD1-CD2 4.16Å; L60-F71 HydrophobicContact CD1-CE1 3.63Å; L60-F71 HydrophobicContact CD1-CE2 4.5Å; L60-F71 HydrophobicContact CD1-CG 3.51Å; L60-F71 HydrophobicContact CD1-CZ 4.26Å; L60-F71 HydrophobicContact CD2-CB 4.22Å; L60-F71 HydrophobicContact CD2-CG 4.39Å; D67-F71 WeakPolarHBondContact O-CB 3.22Å; D67-F71 PolarHBondContact O-N 3.46Å; N69-F71 VanDerWaalsContact C-N 3.31Å; N69-F71 PolarHBondContact O-N 3.35Å; F71-T73 VanDerWaalsContact C-N 3.35Å; F71-T73 PolarHBondContact O-N 3.19Å; F71-C74 PolarHBondContact O-N 3.25Å; F71-A75 HydrophobicContact CD1-CB 4.41Å; F71-A75 HydrophobicContact CE1-CB 4.07Å; F71-A75 HydrophobicContact CZ-CB 4.27Å; F71-A75 WeakPolarHBondContact O-CB 3.44Å; F71-A75 PolarHBondContact O-N 3.02Å; F71-Y84 AromaticContact CZ-CE1 3.97Å; F71-Y84 HydrophobicContact CZ-CE1 3.97Å; F71-Y84 HydrophobicContact CZ-CE2 4.32Å; F71-Y84 AromaticContact CZ-CZ 3.66Å; F71-Y84 WeakPolarHBondContact CZ-OH 3.31Å; F71-C87 HydrophobicContact CE2-CB 4.46Å; F71-L88 HydrophobicContact CE2-CB 3.97Å; F71-L88 HydrophobicContact CE2-CD1 4.12Å; F71-L88 HydrophobicContact CE2-CG 4.15Å; F71-L88 HydrophobicContact CZ-CD1 4.23Å; F71-Y91 HydrophobicContact CB-CE2 3.88Å; F71-Y91 AromaticContact CD2-CD2 3.98Å; F71-Y91 HydrophobicContact CD2-CD2 3.98Å; F71-Y91 AromaticContact CD2-CE2 3.89Å; F71-Y91 HydrophobicContact CD2-CE2 3.89Å; F71-Y91 HydrophobicContact CG-CE2 4.36Å
72	S	86.3	Confident	82.8	Confident	59 Å²	59	79.1 Å²	79.1	41%	0.413	41%	0.408	S	S	.	.	H	α-helix	trans	-63.2	-38.1	-178.4	74.1	0	0	0	0	113.1	R68 N69 Y76	R68-S72 WeakPolarHBondContact O-CB 3.38Å; R68-S72 PolarHBondContact O-N 3.13Å; R68-S72 PolarHBondContact O-OG 3.06Å; N69-S72 WeakPolarHBondContact CA-OG 3.27Å; N69-S72 PolarHBondContact O-N 3.16Å; N69-S72 VanDerWaalsContact O-N 3.09Å; N69-S72 PolarHBondContact O-OG 2.88Å; S72-Y76 WeakPolarHBondContact O-CB 3.29Å; S72-Y76 PolarHBondContact O-N 2.74Å
73	T	88.3	Confident	83.3	Confident	82 Å²	82	76.2 Å²	76.2	50%	0.503	39%	0.392	S	S	.	.	H	α-helix	trans	-67.6	-47.7	176.3	52.7	0	0	0	0	110.9	N69 K70 F71 A75 Y76 E77	N69-T73 PolarHBondContact O-N 3.28Å; N69-T73 PolarHBondContact O-OG1 3.35Å; K70-T73 PolarHBondContact O-OG1 2.9Å; F71-T73 VanDerWaalsContact C-N 3.35Å; F71-T73 PolarHBondContact O-N 3.19Å; T73-A75 PolarHBondContact O-N 3.4Å; T73-Y76 PolarHBondContact O-N 3.06Å; T73-E77 PolarHBondContact O-N 3.49Å
74	C	87.9	Confident	83.7	Confident	47 Å²	47	76 Å²	76	32%	0.318	39%	0.388	S	S	.	.	H	α-helix	trans	-60.6	-47.4	176.6	-164.4	0	0	0	0	111.4	K70 F71 Y76 E77 T78 C87	K70-C74 WeakPolarHBondContact O-CB 3.32Å; K70-C74 PolarHBondContact O-N 3.03Å; F71-C74 PolarHBondContact O-N 3.25Å; C74-Y76 VanDerWaalsContact C-N 3.29Å; C74-Y76 PolarHBondContact O-N 3.25Å; C74-E77 PolarHBondContact O-N 3.33Å; C74-T78 WeakPolarHBondContact O-CG2 3.33Å; C74-T78 PolarHBondContact O-N 2.88Å; C74-C87 HydrophobicContact CB-CB 3.73Å; C74-C87 WeakPolarHBondContact CB-SG 3.49Å; C74-C87 WeakPolarHBondContact SG-CB 3.35Å; C74-C87 CovalentContact SG-SG 2.03Å; C74-C87 PolarHBondContact SG-SG 3.27Å
75	A	85.4	Confident	83.8	Confident	20 Å²	20	73.5 Å²	73.5	17%	0.165	37%	0.37	C	S	.	.	H	α-helix	trans	-59.4	-38.4	179.6	0	0	0	0	0	112.6	F71 T73 E77 T78 Y84	F71-A75 HydrophobicContact CD1-CB 4.41Å; F71-A75 HydrophobicContact CE1-CB 4.07Å; F71-A75 HydrophobicContact CZ-CB 4.27Å; F71-A75 WeakPolarHBondContact O-CB 3.44Å; F71-A75 PolarHBondContact O-N 3.02Å; T73-A75 PolarHBondContact O-N 3.4Å; A75-E77 VanDerWaalsContact C-N 3.3Å; A75-E77 PolarHBondContact O-N 2.86Å; A75-T78 PolarHBondContact O-N 3.4Å; A75-T78 PolarHBondContact O-OG1 3.09Å; A75-Y84 HydrophobicContact CB-CD2 4.26Å; A75-Y84 HydrophobicContact CB-CE2 3.81Å
76	Y	82.8	Confident	83.9	Confident	214 Å²	214	69.6 Å²	69.6	84%	0.839	35%	0.348	S	S	*	.	H	α-helix	trans	-65.7	-30.4	179.3	-170.3	-96.4	0	0	0	113.1	S72 T73 C74	S72-Y76 WeakPolarHBondContact O-CB 3.29Å; S72-Y76 PolarHBondContact O-N 2.74Å; T73-Y76 PolarHBondContact O-N 3.06Å; C74-Y76 VanDerWaalsContact C-N 3.29Å; C74-Y76 PolarHBondContact O-N 3.25Å
77	E	79.6	Confident	84	Confident	158 Å²	158	64.1 Å²	64.1	74%	0.738	32%	0.323	S	S	*	.	H	α-helix	trans	-82.6	-12.9	-179.8	-68	178.2	179.4	0	0	113.5	T73 C74 A75	T73-E77 PolarHBondContact O-N 3.49Å; C74-E77 PolarHBondContact O-N 3.33Å; A75-E77 VanDerWaalsContact C-N 3.3Å; A75-E77 PolarHBondContact O-N 2.86Å
78	T	78.9	Confident	84.1	Confident	35 Å²	35	63 Å²	63	22%	0.215	32%	0.317	C	S	.	.			trans	-75.5	135.4	-172.8	66.7	0	0	0	0	113.6	C74 A75 D83 C87	C74-T78 WeakPolarHBondContact O-CG2 3.33Å; C74-T78 PolarHBondContact O-N 2.88Å; A75-T78 PolarHBondContact O-N 3.4Å; A75-T78 PolarHBondContact O-OG1 3.09Å; T78-D83 HydrophobicContact CG2-CB 3.76Å; T78-C87 VanDerWaalsContact CG2-SG 3.54Å
79	K	71.9	Confident	84.1	Confident	131 Å²	131	58.4 Å²	58.4	57%	0.57	31%	0.309	S	S	*	.			trans	-108.8	-7.7	176	-67.9	177.6	-179.8	167.8	0	113.3	E17	E17-K79 IonicContact OE1-NZ 2.73Å; E17-K79 PolarHBondContact OE1-NZ 2.64Å; E17-K79 IonicContact OE2-NZ 3.21Å
80	S	76.2	Confident	83.9	Confident	44 Å²	44	57.5 Å²	57.5	31%	0.308	31%	0.308	S	S	.	.	S	Bend	trans	-137.5	154.6	-177.4	78	0	0	0	0	111.5	V82 D83 Y84	S80-V82 PolarHBondContact O-N 3.43Å; S80-D83 WeakPolarHBondContact CB-OD2 3.37Å; S80-D83 PolarHBondContact O-N 2.98Å; S80-D83 PolarHBondContact OG-N 3.09Å; S80-D83 PolarHBondContact OG-OD2 3.39Å; S80-Y84 PolarHBondContact O-N 2.7Å
81	A	79.1	Confident	83.7	Confident	13 Å²	13	52.9 Å²	52.9	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-29.1	174.6	0	0	0	0	0	112.4	Q48 V49 L52 Y84 A85	Q48-A81 HydrophobicContact CB-CB 4.04Å; V49-A81 HydrophobicContact CG2-CB 4.21Å; L52-A81 HydrophobicContact CD1-CB 3.92Å; L52-A81 VanDerWaalsContact CD1-O 3.26Å; L52-A81 WeakPolarHBondContact CD1-O 3.46Å; A81-Y84 PolarHBondContact O-N 3.06Å; A81-A85 WeakPolarHBondContact O-CB 3.22Å; A81-A85 PolarHBondContact O-N 3.48Å
82	V	82.8	Confident	83.3	Confident	42 Å²	42	52.3 Å²	52.3	26%	0.255	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-46.4	175.4	177.1	0	0	0	0	110.6	S80 Y84 A85 S86 I469 R473	S80-V82 PolarHBondContact O-N 3.43Å; V82-Y84 VanDerWaalsContact C-N 3.32Å; V82-Y84 PolarHBondContact O-N 3.23Å; V82-A85 PolarHBondContact O-N 3.32Å; V82-S86 PolarHBondContact O-N 3.49Å; V82-I469 HydrophobicContact CG2-CG2 4.32Å; V82-R473 HydrophobicContact CG1-CG 4.38Å
83	D	83.8	Confident	82.6	Confident	39 Å²	39	51.6 Å²	51.6	21%	0.209	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-43.5	175.4	-61.3	-45.2	0	0	0	110.6	T78 S80 A85 S86 C87 R473	T78-D83 HydrophobicContact CG2-CB 3.76Å; S80-D83 WeakPolarHBondContact CB-OD2 3.37Å; S80-D83 PolarHBondContact O-N 2.98Å; S80-D83 PolarHBondContact OG-N 3.09Å; S80-D83 PolarHBondContact OG-OD2 3.39Å; D83-A85 PolarHBondContact O-N 3.26Å; D83-S86 WeakPolarHBondContact O-CB 3.37Å; D83-S86 PolarHBondContact O-N 2.82Å; D83-S86 VanDerWaalsContact O-N 3.15Å; D83-S86 PolarHBondContact O-OG 3.36Å; D83-C87 PolarHBondContact O-N 2.94Å; D83-R473 IonicContact OD1-CZ 3.05Å; D83-R473 IonicContact OD1-NE 2.93Å; D83-R473 IonicContact OD1-NH2 2.71Å; D83-R473 PolarHBondContact OD1-NH2 3.33Å
84	Y	86.9	Confident	81.4	Confident	21 Å²	21	53 Å²	53	8%	0.082	29%	0.286	C	S	.	.	H	α-helix	trans	-61.8	-43.9	177.7	-168.9	-80.3	0	0	0	111.9	V49 L52 S53 A56 F71 A75 S80 A81 V82 S86 C87 L88	V49-Y84 HydrophobicContact CG1-CD2 4.45Å; L52-Y84 HydrophobicContact CB-CD1 3.51Å; L52-Y84 HydrophobicContact CB-CE1 3.63Å; L52-Y84 HydrophobicContact CD1-CD1 4Å; L52-Y84 HydrophobicContact CG-CD1 4.36Å; S53-Y84 WeakPolarHBondContact CA-OH 3.44Å; A56-Y84 HydrophobicContact CB-CE1 4.4Å; F71-Y84 AromaticContact CZ-CE1 3.97Å; F71-Y84 HydrophobicContact CZ-CE1 3.97Å; F71-Y84 HydrophobicContact CZ-CE2 4.32Å; F71-Y84 AromaticContact CZ-CZ 3.66Å; F71-Y84 WeakPolarHBondContact CZ-OH 3.31Å; A75-Y84 HydrophobicContact CB-CD2 4.26Å; A75-Y84 HydrophobicContact CB-CE2 3.81Å; S80-Y84 PolarHBondContact O-N 2.7Å; A81-Y84 PolarHBondContact O-N 3.06Å; V82-Y84 VanDerWaalsContact C-N 3.32Å; V82-Y84 PolarHBondContact O-N 3.23Å; Y84-S86 VanDerWaalsContact C-N 3.29Å; Y84-S86 PolarHBondContact O-N 2.93Å; Y84-C87 WeakPolarHBondContact O-CB 3.39Å; Y84-C87 PolarHBondContact O-N 3Å; Y84-L88 HydrophobicContact CE1-CD1 4.03Å; Y84-L88 WeakPolarHBondContact O-CB 3.46Å; Y84-L88 PolarHBondContact O-N 3.24Å
85	A	85.9	Confident	80.1	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-36.6	175	0	0	0	0	0	111.8	L52 A81 V82 D83 L88 A89 I469 A470	L52-A85 HydrophobicContact CD1-CB 4.27Å; L52-A85 HydrophobicContact CD2-CB 4.37Å; A81-A85 WeakPolarHBondContact O-CB 3.22Å; A81-A85 PolarHBondContact O-N 3.48Å; V82-A85 PolarHBondContact O-N 3.32Å; D83-A85 PolarHBondContact O-N 3.26Å; A85-L88 WeakPolarHBondContact O-CB 3.33Å; A85-L88 PolarHBondContact O-N 3.03Å; A85-L88 VanDerWaalsContact O-N 3.09Å; A85-A89 PolarHBondContact O-N 3.05Å; A85-I469 HydrophobicContact CB-CB 4.1Å; A85-I469 HydrophobicContact CB-CG2 3.73Å; A85-A470 HydrophobicContact CB-CB 4.11Å
86	S	85.6	Confident	78.9	Confident	26 Å²	26	55.8 Å²	55.8	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-39	176.1	80.8	0	0	0	0	113.2	V82 D83 Y84 L88 R473	V82-S86 PolarHBondContact O-N 3.49Å; D83-S86 WeakPolarHBondContact O-CB 3.37Å; D83-S86 PolarHBondContact O-N 2.82Å; D83-S86 VanDerWaalsContact O-N 3.15Å; D83-S86 PolarHBondContact O-OG 3.36Å; Y84-S86 VanDerWaalsContact C-N 3.29Å; Y84-S86 PolarHBondContact O-N 2.93Å; S86-L88 PolarHBondContact O-N 3.43Å; S86-R473 VanDerWaalsContact CB-NH1 3.29Å; S86-R473 PolarHBondContact OG-NH1 3.05Å
87	C	87.8	Confident	77.5	Confident	11 Å²	11	52.5 Å²	52.5	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-28.9	172.1	-67.7	0	0	0	0	112.2	F71 C74 T78 D83 Y84 Y91	F71-C87 HydrophobicContact CE2-CB 4.46Å; C74-C87 HydrophobicContact CB-CB 3.73Å; C74-C87 WeakPolarHBondContact CB-SG 3.49Å; C74-C87 WeakPolarHBondContact SG-CB 3.35Å; C74-C87 CovalentContact SG-SG 2.03Å; C74-C87 PolarHBondContact SG-SG 3.27Å; T78-C87 VanDerWaalsContact CG2-SG 3.54Å; D83-C87 PolarHBondContact O-N 2.94Å; Y84-C87 WeakPolarHBondContact O-CB 3.39Å; Y84-C87 PolarHBondContact O-N 3Å; C87-Y91 WeakPolarHBondContact O-CE2 3.35Å
88	L	87.5	Confident	76.1	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-87.4	-28.2	-174.7	-164.2	146.6	0	0	0	113.2	A56 F71 Y84 A85 S86 P90 Y91 L92 V466	A56-L88 HydrophobicContact CB-CD1 3.38Å; F71-L88 HydrophobicContact CE2-CB 3.97Å; F71-L88 HydrophobicContact CE2-CD1 4.12Å; F71-L88 HydrophobicContact CE2-CG 4.15Å; F71-L88 HydrophobicContact CZ-CD1 4.23Å; Y84-L88 HydrophobicContact CE1-CD1 4.03Å; Y84-L88 WeakPolarHBondContact O-CB 3.46Å; Y84-L88 PolarHBondContact O-N 3.24Å; A85-L88 WeakPolarHBondContact O-CB 3.33Å; A85-L88 PolarHBondContact O-N 3.03Å; A85-L88 VanDerWaalsContact O-N 3.09Å; S86-L88 PolarHBondContact O-N 3.43Å; L88-P90 VanDerWaalsContact C-CD 3.42Å; L88-Y91 PolarHBondContact O-N 3.48Å; L88-L92 HydrophobicContact CD2-CD1 3.71Å; L88-L92 HydrophobicContact CD2-CD2 3.32Å; L88-L92 HydrophobicContact CD2-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.46Å; L88-V466 HydrophobicContact CD2-CG1 3.92Å
89	A	85.4	Confident	74.5	Confident	40 Å²	40	51.5 Å²	51.5	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-43.9	-47.5	-179.1	0	0	0	0	0	116	A85 Y91 L92 A470	A85-A89 PolarHBondContact O-N 3.05Å; A89-Y91 PolarHBondContact O-N 3.4Å; A89-L92 PolarHBondContact O-N 3.49Å; A89-A470 HydrophobicContact CB-CB 4.1Å
90	P	83.6	Confident	73.2	Confident	85 Å²	85	55.8 Å²	55.8	55%	0.552	30%	0.295	S	S	*	.	H	α-helix	trans	-65.5	-24.3	-178.7	24.6	-34.5	0	0	0	113.7	L88	L88-P90 VanDerWaalsContact C-CD 3.42Å
91	Y	83.6	Confident	71.4	Confident	24 Å²	24	59.2 Å²	59.2	9%	0.094	31%	0.314	C	S	.	.	H	α-helix	trans	-87.8	-17.7	-177.5	-55.4	-70.3	0	0	0	113.1	L60 D67 F71 C87 L88 A89 G93	L60-Y91 HydrophobicContact CD2-CD1 4.08Å; L60-Y91 HydrophobicContact CD2-CD2 4.35Å; L60-Y91 HydrophobicContact CD2-CE1 4.47Å; L60-Y91 HydrophobicContact CD2-CG 4.01Å; D67-Y91 HydrophobicContact CB-CD1 4.41Å; D67-Y91 HydrophobicContact CB-CE1 3.68Å; D67-Y91 PolarHBondContact O-OH 2.95Å; F71-Y91 HydrophobicContact CB-CE2 3.88Å; F71-Y91 AromaticContact CD2-CD2 3.98Å; F71-Y91 HydrophobicContact CD2-CD2 3.98Å; F71-Y91 AromaticContact CD2-CE2 3.89Å; F71-Y91 HydrophobicContact CD2-CE2 3.89Å; F71-Y91 HydrophobicContact CG-CE2 4.36Å; C87-Y91 WeakPolarHBondContact O-CE2 3.35Å; L88-Y91 PolarHBondContact O-N 3.48Å; A89-Y91 PolarHBondContact O-N 3.4Å; Y91-G93 PolarHBondContact O-N 3.44Å
92	L	80.9	Confident	69.3	Low	6 Å²	6	64.4 Å²	64.4	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-68	-33.7	179.1	-68.1	171.9	0	0	0	113	V55 L88 A89 K94 M95 L463 V466 A467	V55-L92 HydrophobicContact CG1-CD2 4.34Å; L88-L92 HydrophobicContact CD2-CD1 3.71Å; L88-L92 HydrophobicContact CD2-CD2 3.32Å; L88-L92 HydrophobicContact CD2-CG 3.39Å; L88-L92 PolarHBondContact O-N 3.46Å; A89-L92 PolarHBondContact O-N 3.49Å; L92-K94 VanDerWaalsContact C-N 3.28Å; L92-K94 PolarHBondContact O-N 3.11Å; L92-M95 PolarHBondContact O-N 3.49Å; L92-M95 VanDerWaalsContact O-N 3.17Å; L92-L463 HydrophobicContact CD2-CD2 3.57Å; L92-V466 HydrophobicContact CD1-CB 4.25Å; L92-V466 HydrophobicContact CD1-CG1 3.97Å; L92-A467 HydrophobicContact CD1-CB 4.19Å
93	G	70.3	Confident	67.2	Low	44 Å²	44	67.2 Å²	67.2	45%	0.454	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-36.3	-178.9	0	0	0	0	0	113	Y91 M95 K96	Y91-G93 PolarHBondContact O-N 3.44Å; G93-M95 VanDerWaalsContact C-N 3.27Å; G93-M95 PolarHBondContact O-N 2.89Å; G93-K96 PolarHBondContact O-N 2.85Å
94	K	63.8	Low	64.7	Low	111 Å²	111	73 Å²	73	48%	0.483	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-27.9	179.1	-64.4	-175.8	-177.6	-177.9	0	112.5	D67 L92	D67-K94 IonicContact OD2-NZ 3.99Å; D67-K94 PolarHBondContact OD2-NZ 3.08Å; L92-K94 VanDerWaalsContact C-N 3.28Å; L92-K94 PolarHBondContact O-N 3.11Å
95	M	60.7	Low	62.1	Low	25 Å²	25	83.5 Å²	83.5	12%	0.123	44%	0.441	C	S	.	.	H	α-helix	trans	-76.1	-34	176.8	-75.7	-174.8	129.8	0	0	113.4	K58 A59 L92 G93 M97 R98 L463	K58-M95 HydrophobicContact CB-CE 3.91Å; K58-M95 HydrophobicContact CD-CE 4.05Å; K58-M95 HydrophobicContact CG-CE 3.58Å; K58-M95 VanDerWaalsContact O-CE 3.28Å; K58-M95 WeakPolarHBondContact O-CE 3.37Å; A59-M95 VanDerWaalsContact CA-SD 3.54Å; A59-M95 HydrophobicContact CB-CE 4.12Å; A59-M95 HydrophobicContact CB-CG 4.45Å; A59-M95 HydrophobicContact CB-SD 3.66Å; A59-M95 VanDerWaalsContact N-CE 3.29Å; L92-M95 PolarHBondContact O-N 3.49Å; L92-M95 VanDerWaalsContact O-N 3.17Å; G93-M95 VanDerWaalsContact C-N 3.27Å; G93-M95 PolarHBondContact O-N 2.89Å; M95-M97 PolarHBondContact O-N 2.79Å; M95-R98 PolarHBondContact O-N 2.94Å; M95-R98 VanDerWaalsContact O-N 3.14Å; M95-L463 HydrophobicContact CB-CD1 4.09Å; M95-L463 HydrophobicContact SD-CD2 3.98Å
96	K	59.5	Low	59.8	Low	100 Å²	100	93.3 Å²	93.3	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-59.6	-31.7	-177.9	-68.5	-173.8	175.6	-171.4	0	112.5	G93 D464	G93-K96 PolarHBondContact O-N 2.85Å; K96-D464 WeakPolarHBondContact CE-OD1 3.48Å; K96-D464 IonicContact NZ-OD1 3.15Å; K96-D464 PolarHBondContact NZ-OD1 3.38Å
97	M	53.1	Low	57.5	Low	146 Å²	146	100.6 Å²	100.6	72%	0.719	51%	0.51	S	S	*	.	H	α-helix	trans	-77.1	-27.5	179.4	-67.5	-63.7	-139.1	0	0	114.1	M95 A99	M95-M97 PolarHBondContact O-N 2.79Å; M97-A99 PolarHBondContact O-N 3.41Å
98	R	51	Low	54.9	Low	114 Å²	114	107.3 Å²	107.3	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-77.8	-17.7	-174	-74.6	-173.8	-180	147.9	4.8	114.8	D62 M95 R100 V101	D62-R98 VanDerWaalsContact CB-NH1 3.29Å; D62-R98 IonicContact OD2-CZ 3.68Å; D62-R98 IonicContact OD2-NE 2.83Å; D62-R98 IonicContact OD2-NH1 2.67Å; D62-R98 PolarHBondContact OD2-NH1 2.87Å; D62-R98 IonicContact OD2-NH2 2.85Å; M95-R98 PolarHBondContact O-N 2.94Å; M95-R98 VanDerWaalsContact O-N 3.14Å; R98-R100 PolarHBondContact O-N 3.19Å; R98-V101 PolarHBondContact O-N 2.78Å
99	A	46.3	Very low	52.5	Low	58 Å²	58	114.6 Å²	114.6	48%	0.479	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65	-2	178.9	0	0	0	0	0	114.4	M97	M97-A99 PolarHBondContact O-N 3.41Å
100	R	43.1	Very low	50.1	Low	220 Å²	220	124.3 Å²	124.3	83%	0.83	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-2.8	179	-71.4	-173.7	-179	176.2	0.7	115	R98	R98-R100 PolarHBondContact O-N 3.19Å
101	V	39.3	Very low	47.9	Very low	116 Å²	116	131 Å²	131	70%	0.703	63%	0.626	S	S	*	*	S	Bend	trans	-112.6	120.5	-178.6	-172.5	0	0	0	0	111.1	R98 A103	R98-V101 PolarHBondContact O-N 2.78Å; V101-A103 PolarHBondContact O-N 2.98Å
102	P	35.4	Very low	45.7	Very low	123 Å²	123	135.8 Å²	135.8	80%	0.799	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-68.5	126.4	175	26.5	-30.4	0	0	0	110.5	M104	P102-M104 PolarHBondContact O-N 3.05Å
103	A	37.3	Very low	43.4	Very low	101 Å²	101	140.4 Å²	140.4	84%	0.835	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-73.1	125.4	-179.3	0	0	0	0	0	112	V101	V101-A103 PolarHBondContact O-N 2.98Å
104	M	32.5	Very low	42	Very low	161 Å²	161	144 Å²	144	79%	0.793	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-56.5	130.9	173.7	-130.5	175.1	-145.8	0	0	111.8	P102 Y106	P102-M104 PolarHBondContact O-N 3.05Å; M104-Y106 HydrophobicContact CB-CE2 4.43Å; M104-Y106 PolarHBondContact O-N 3.5Å
105	R	32.2	Very low	40.7	Very low	240 Å²	240	148.4 Å²	148.4	91%	0.906	73%	0.733	S	S	*	*			trans	-71.1	115.2	175.4	-79.8	179.1	176.1	173.2	-1	110.4
106	Y	37.1	Very low	39.6	Very low	206 Å²	206	152 Å²	152	81%	0.808	76%	0.756	S	S	*	*			trans	-98.3	126.4	165.4	-82	-87	0	0	0	110.5	M104	M104-Y106 HydrophobicContact CB-CE2 4.43Å; M104-Y106 PolarHBondContact O-N 3.5Å
107	H	36.7	Very low	38.3	Very low	179 Å²	179	157 Å²	157	83%	0.829	78%	0.778	S	S	*	*			trans	-67.3	149.7	-179.7	-80.6	-78.9	0	0	0	113.3	I109	H107-I109 PolarHBondContact O-N 2.95Å
108	N	33.3	Very low	37.4	Very low	153 Å²	153	160.8 Å²	160.8	82%	0.818	79%	0.785	S	S	*	*			trans	-56.9	112.7	-173.6	-66.7	-36.8	0	0	0	114.4
109	I	37.7	Very low	36.6	Very low	154 Å²	154	161.5 Å²	161.5	79%	0.79	80%	0.801	S	S	*	*			trans	-94.8	105.6	161	-61.5	173.6	0	0	0	108	H107	H107-I109 PolarHBondContact O-N 2.95Å
110	R	34.9	Very low	36.1	Very low	244 Å²	244	163.9 Å²	163.9	92%	0.921	81%	0.814	S	S	*	*			trans	-66.4	126.4	172.4	-71.9	179.1	174.8	-178.8	-1.3	109.5
111	R	37.4	Very low	35.7	Very low	227 Å²	227	156.9 Å²	156.9	86%	0.857	81%	0.811	S	S	*	*			trans	-113.5	140.8	163.1	-78.6	-171.7	179.7	177.9	0.8	110.3
112	P	36.8	Very low	35.4	Very low	124 Å²	124	161 Å²	161	81%	0.805	82%	0.82	S	S	*	*			trans	-76.6	151.5	-165.7	31.2	-35.1	0	0	0	113.4	T114	P112-T114 PolarHBondContact O-N 2.65Å
113	A	33.2	Very low	35.2	Very low	102 Å²	102	165.3 Å²	165.3	84%	0.843	83%	0.826	S	S	*	*			trans	-63.4	123.2	-176.4	0	0	0	0	0	112.6
114	T	40.2	Very low	34.8	Very low	119 Å²	119	167 Å²	167	73%	0.73	82%	0.82	S	S	*	*			trans	-115.5	129	160	48.6	0	0	0	0	108.5	P112 V116	P112-T114 PolarHBondContact O-N 2.65Å; T114-V116 PolarHBondContact O-N 3.2Å
115	H	36.1	Very low	34.8	Very low	204 Å²	204	170.5 Å²	170.5	94%	0.944	83%	0.825	S	S	*	*			trans	-60.3	91.5	179.3	-71.9	-85.4	0	0	0	110.8
116	V	39.2	Very low	34.8	Very low	100 Å²	100	166 Å²	166	61%	0.606	82%	0.824	S	S	*	*			trans	-128.9	110.4	171.3	-171.3	0	0	0	0	108.2	T114	T114-V116 PolarHBondContact O-N 3.2Å
117	K	31.8	Very low	34.6	Very low	206 Å²	206	167.5 Å²	167.5	90%	0.896	83%	0.828	S	S	*	*			trans	-77.5	118.8	175.6	-133.5	177.7	-176	179.5	0	107.8
118	W	34.4	Very low	34.7	Very low	226 Å²	226	170.6 Å²	170.6	86%	0.856	83%	0.832	S	S	*	*			trans	-78.8	124.2	-179.4	-74.1	85.9	0	0	0	111.2
119	V	34.2	Very low	34.7	Very low	128 Å²	128	175.5 Å²	175.5	78%	0.776	84%	0.84	S	S	*	*			trans	-122.4	115.7	158.7	-177.2	0	0	0	0	106.2
120	S	35.9	Very low	34.7	Very low	108 Å²	108	179.1 Å²	179.1	76%	0.755	84%	0.843	S	S	*	*	S	Bend	trans	-0.7	114.7	175.6	57.6	0	0	0	0	119.7	F122	S120-F122 PolarHBondContact O-N 3.12Å
121	G	34.4	Very low	35.2	Very low	74 Å²	74	172.3 Å²	172.3	76%	0.763	83%	0.833	S	S	*	*	S	Bend	trans	87.8	-28.1	131.7	0	0	0	0	0	121.4
122	F	33	Very low	35.6	Very low	201 Å²	201	163.5 Å²	163.5	88%	0.882	80%	0.804	S	S	*	*			trans	-127.1	131.2	-178.3	-79	-84.7	0	0	0	113.2	S120 L124	S120-F122 PolarHBondContact O-N 3.12Å; F122-L124 PolarHBondContact O-N 2.86Å
123	K	31	Very low	35.8	Very low	215 Å²	215	163.7 Å²	163.7	94%	0.935	80%	0.798	S	S	*	*			trans	-87.9	100.3	-176.2	-138.3	-178.7	-170.6	176.6	0	109.3
124	L	29.6	Very low	36.4	Very low	135 Å²	135	163.2 Å²	163.2	71%	0.707	78%	0.779	S	S	*	*			trans	-121.3	131	165.3	-89.4	161.1	0	0	0	110.4	F122 E373	F122-L124 PolarHBondContact O-N 2.86Å; L124-E373 WeakPolarHBondContact CD1-OE1 3.39Å
125	R	32.7	Very low	37.1	Very low	236 Å²	236	162 Å²	162	89%	0.891	77%	0.766	S	S	*	*			trans	-85.1	110	-171.7	-149.6	-179.1	-172.6	176.8	0.9	108.1	R127	R125-R127 PolarHBondContact O-N 3.18Å
126	T	31.5	Very low	38.1	Very low	145 Å²	145	154.9 Å²	154.9	89%	0.89	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-66.1	117.7	173.1	55.6	0	0	0	0	109.4
127	R	32.9	Very low	38.7	Very low	237 Å²	237	155.2 Å²	155.2	89%	0.894	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-100	129.9	175.6	-112.3	-178.5	175.6	176.8	-0.6	109.2	R125	R125-R127 PolarHBondContact O-N 3.18Å
128	R	37.9	Very low	39.7	Very low	244 Å²	244	151.4 Å²	151.4	92%	0.921	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-56.8	139.5	175.8	-75.7	179.9	174.5	178	-2.5	111.5	R130	R128-R130 PolarHBondContact O-N 3.21Å
129	R	33.3	Very low	40.8	Very low	257 Å²	257	149.2 Å²	149.2	97%	0.97	71%	0.714	S	S	*	*			trans	-41.9	123.3	174.1	-121.1	177	-179.4	-175	-0.8	112.1
130	R	38.5	Very low	41.8	Very low	230 Å²	230	151.6 Å²	151.6	87%	0.868	71%	0.71	S	S	*	*			trans	-96.6	127.2	160.7	-96	-179.5	171.4	177.4	-4.3	108.1	R128	R128-R130 PolarHBondContact O-N 3.21Å
131	S	44.6	Very low	42.5	Very low	101 Å²	101	150.8 Å²	150.8	71%	0.706	70%	0.701	S	S	*	*			trans	-54.3	144.3	170.2	51.7	0	0	0	0	110.5
132	T	45.6	Very low	43.7	Very low	41 Å²	41	154.1 Å²	154.1	25%	0.252	70%	0.701	S	S	.	*			trans	-110.9	153.9	-168.4	57.1	0	0	0	0	113.9	M134 E135 A136 K364	T132-M134 PolarHBondContact O-N 2.82Å; T132-E135 PolarHBondContact N-OE2 3.09Å; T132-E135 WeakPolarHBondContact O-CB 3.18Å; T132-E135 PolarHBondContact O-N 3.3Å; T132-A136 PolarHBondContact O-N 3.11Å; T132-K364 PolarHBondContact OG1-NZ 3.34Å
133	L	42.9	Very low	44.8	Very low	129 Å²	129	154 Å²	154	68%	0.675	70%	0.696	S	S	*	*	H	α-helix	trans	-55.4	-25.6	-176.8	-159.2	141.3	0	0	0	113.2	A136 Q137	L133-A136 WeakPolarHBondContact O-CB 3.44Å; L133-A136 PolarHBondContact O-N 3.27Å; L133-Q137 HydrophobicContact CD2-CG 4.22Å; L133-Q137 PolarHBondContact O-N 3.03Å
134	M	44.6	Very low	45.5	Very low	92 Å²	92	150.1 Å²	150.1	45%	0.453	68%	0.683	S	S	.	*	H	α-helix	trans	-66.9	-39.3	171.4	-75.3	-73.1	-81.4	0	0	113.4	T132 A136 Q137 E138	T132-M134 PolarHBondContact O-N 2.82Å; M134-A136 PolarHBondContact O-N 3.47Å; M134-Q137 PolarHBondContact O-N 3.33Å; M134-E138 WeakPolarHBondContact O-CB 3.44Å; M134-E138 PolarHBondContact O-N 2.98Å
135	E	55.8	Low	46.7	Very low	94 Å²	94	149.1 Å²	149.1	44%	0.439	68%	0.678	S	S	.	*	H	α-helix	trans	-68.9	-23.6	172.5	-74.6	169	136.5	0	0	111.5	T132 R139	T132-E135 PolarHBondContact N-OE2 3.09Å; T132-E135 WeakPolarHBondContact O-CB 3.18Å; T132-E135 PolarHBondContact O-N 3.3Å; E135-R139 WeakPolarHBondContact O-CG 2.85Å; E135-R139 PolarHBondContact O-N 3.33Å
136	A	55.4	Low	47.7	Very low	54 Å²	54	148.5 Å²	148.5	45%	0.446	68%	0.676	S	S	.	*	H	α-helix	trans	-79.1	-37.2	172.6	0	0	0	0	0	112.1	T132 L133 M134 Y140	T132-A136 PolarHBondContact O-N 3.11Å; L133-A136 WeakPolarHBondContact O-CB 3.44Å; L133-A136 PolarHBondContact O-N 3.27Å; M134-A136 PolarHBondContact O-N 3.47Å; A136-Y140 PolarHBondContact O-N 3.43Å
137	Q	51.8	Low	49	Very low	107 Å²	107	151.2 Å²	151.2	50%	0.5	67%	0.67	S	S	.	*	H	α-helix	trans	-72	-38.1	174.7	-83.1	176.4	-42.4	0	0	112.5	L133 M134 R139 Y140 T141	L133-Q137 HydrophobicContact CD2-CG 4.22Å; L133-Q137 PolarHBondContact O-N 3.03Å; M134-Q137 PolarHBondContact O-N 3.33Å; Q137-R139 VanDerWaalsContact C-N 3.29Å; Q137-R139 PolarHBondContact O-N 3.42Å; Q137-Y140 WeakPolarHBondContact O-CB 3.33Å; Q137-Y140 PolarHBondContact O-N 3.2Å; Q137-T141 PolarHBondContact O-N 3.31Å; Q137-T141 PolarHBondContact O-OG1 3.43Å
138	E	54.2	Low	50.6	Low	125 Å²	125	143.5 Å²	143.5	58%	0.584	65%	0.649	S	S	*	*	H	α-helix	trans	-60.8	-38.2	172.2	-97.2	-177.2	155.4	0	0	112.2	M134 Y140 T141 N142	M134-E138 WeakPolarHBondContact O-CB 3.44Å; M134-E138 PolarHBondContact O-N 2.98Å; E138-Y140 VanDerWaalsContact C-N 3.28Å; E138-Y140 PolarHBondContact O-N 2.89Å; E138-T141 WeakPolarHBondContact CA-OG1 3.45Å; E138-T141 PolarHBondContact O-N 2.82Å; E138-T141 PolarHBondContact O-OG1 3.26Å; E138-N142 WeakPolarHBondContact O-CB 3.42Å; E138-N142 VanDerWaalsContact O-CG 3.32Å; E138-N142 PolarHBondContact O-N 2.99Å; E138-N142 PolarHBondContact O-ND2 3.37Å
139	R	58	Low	51.5	Low	180 Å²	180	136.3 Å²	136.3	68%	0.679	63%	0.632	S	S	*	*	H	α-helix	trans	-63.1	-34.7	172.1	-76.8	-178.8	-152.7	162.2	5.6	112.5	E135 Q137 Y143	E135-R139 WeakPolarHBondContact O-CG 2.85Å; E135-R139 PolarHBondContact O-N 3.33Å; Q137-R139 VanDerWaalsContact C-N 3.29Å; Q137-R139 PolarHBondContact O-N 3.42Å; R139-Y143 PolarHBondContact O-N 3.18Å
140	Y	55.2	Low	53	Low	178 Å²	178	129.3 Å²	129.3	70%	0.698	61%	0.614	S	S	*	*	H	α-helix	trans	-76.5	-36.4	178.8	-140.2	-85.4	0	0	0	112.3	A136 Q137 E138 Y143 M144	A136-Y140 PolarHBondContact O-N 3.43Å; Q137-Y140 WeakPolarHBondContact O-CB 3.33Å; Q137-Y140 PolarHBondContact O-N 3.2Å; E138-Y140 VanDerWaalsContact C-N 3.28Å; E138-Y140 PolarHBondContact O-N 2.89Å; Y140-Y143 WeakPolarHBondContact O-CB 3.36Å; Y140-Y143 PolarHBondContact O-N 3.41Å; Y140-Y143 VanDerWaalsContact O-N 3.16Å; Y140-M144 PolarHBondContact O-N 3.32Å
141	T	50.4	Low	54.3	Low	92 Å²	92	123.4 Å²	123.4	56%	0.564	60%	0.596	S	S	*	*	H	α-helix	trans	-72.2	-31.2	174.8	53.6	0	0	0	0	112.5	Q137 E138 Y143 M144	Q137-T141 PolarHBondContact O-N 3.31Å; Q137-T141 PolarHBondContact O-OG1 3.43Å; E138-T141 WeakPolarHBondContact CA-OG1 3.45Å; E138-T141 PolarHBondContact O-N 2.82Å; E138-T141 PolarHBondContact O-OG1 3.26Å; T141-Y143 PolarHBondContact O-N 3.33Å; T141-M144 PolarHBondContact O-N 3.48Å
142	N	58.8	Low	54.8	Low	144 Å²	144	126.7 Å²	126.7	77%	0.77	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-13.9	169.9	-76.2	-15.5	0	0	0	112.9	E138	E138-N142 WeakPolarHBondContact O-CB 3.42Å; E138-N142 VanDerWaalsContact O-CG 3.32Å; E138-N142 PolarHBondContact O-N 2.99Å; E138-N142 PolarHBondContact O-ND2 3.37Å
143	Y	56.7	Low	55.1	Low	198 Å²	198	130.9 Å²	130.9	78%	0.776	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-20.7	176	-157.6	-90.8	0	0	0	113	R139 Y140 T141	R139-Y143 PolarHBondContact O-N 3.18Å; Y140-Y143 WeakPolarHBondContact O-CB 3.36Å; Y140-Y143 PolarHBondContact O-N 3.41Å; Y140-Y143 VanDerWaalsContact O-N 3.16Å; T141-Y143 PolarHBondContact O-N 3.33Å
144	M	46.1	Very low	56	Low	134 Å²	134	131.4 Å²	131.4	66%	0.66	61%	0.612	S	S	*	*	S	Bend	trans	-94.8	127.3	177.5	-71.9	-72	-87.6	0	0	110.8	Y140 T141 R146	Y140-M144 PolarHBondContact O-N 3.32Å; T141-M144 PolarHBondContact O-N 3.48Å; M144-R146 PolarHBondContact O-N 2.03Å
145	D	53.1	Low	56.5	Low	113 Å²	113	134.9 Å²	134.9	60%	0.604	62%	0.619	S	S	*	*			trans	-65.2	119.3	-169.9	-145.6	-2.8	0	0	0	111.9	R147 V148	D145-R147 PolarHBondContact O-N 2.93Å; D145-V148 HydrophobicContact CB-CG2 4.24Å; D145-V148 PolarHBondContact O-N 3.49Å
146	R	55.5	Low	56.4	Low	223 Å²	223	134.7 Å²	134.7	84%	0.842	63%	0.629	S	S	*	*	H	α-helix	trans	-53.5	-26.1	-176.8	-118.1	179	173.4	-175.2	-2.2	113.1	M144	M144-R146 PolarHBondContact O-N 2.03Å
147	R	57.1	Low	56.2	Low	202 Å²	202	138.7 Å²	138.7	76%	0.762	64%	0.638	S	S	*	*	H	α-helix	trans	-65.5	-42.8	177.5	-89.8	-178.4	174.1	176.5	-1.3	113.3	D145 V149 N150 E151	D145-R147 PolarHBondContact O-N 2.93Å; R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 3.33Å; R147-N150 PolarHBondContact O-N 3.05Å; R147-E151 PolarHBondContact O-N 3.49Å
148	V	67.7	Low	56.3	Low	76 Å²	76	136.8 Å²	136.8	46%	0.461	64%	0.641	S	S	.	*	H	α-helix	trans	-65.9	-38.5	-172.1	178.5	0	0	0	0	111.2	D145 Y152	D145-V148 HydrophobicContact CB-CG2 4.24Å; D145-V148 PolarHBondContact O-N 3.49Å; V148-Y152 HydrophobicContact CG1-CD2 4.47Å; V148-Y152 PolarHBondContact O-N 3.49Å
149	V	56.6	Low	56.3	Low	92 Å²	92	137.6 Å²	137.6	56%	0.558	65%	0.649	S	S	*	*	H	α-helix	trans	-69.3	-39	178.8	-179.6	0	0	0	0	111.6	R147 Y152 M153	R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 3.33Å; V149-Y152 PolarHBondContact O-N 3.27Å; V149-M153 PolarHBondContact O-N 3.09Å
150	N	65.5	Low	55.9	Low	110 Å²	110	131.3 Å²	131.3	59%	0.588	63%	0.633	S	S	*	*	H	α-helix	trans	-68.9	-39.2	178	-85.8	-6	0	0	0	112.8	R147 Y152 M153 Q154	R147-N150 PolarHBondContact O-N 3.05Å; N150-Y152 PolarHBondContact O-N 3.06Å; N150-M153 PolarHBondContact O-N 2.99Å; N150-Q154 PolarHBondContact O-N 3.2Å
151	E	64.3	Low	55.4	Low	107 Å²	107	126.9 Å²	126.9	50%	0.5	62%	0.621	S	S	.	*	H	α-helix	trans	-61.3	-42.4	174.9	-99.3	-171.3	138	0	0	112.4	R147 Q154 R155	R147-E151 PolarHBondContact O-N 3.49Å; E151-Q154 PolarHBondContact O-N 3.38Å; E151-R155 PolarHBondContact O-N 3.33Å; E151-R155 VanDerWaalsContact O-N 3.11Å
152	Y	56.4	Low	55.3	Low	169 Å²	169	125.9 Å²	125.9	66%	0.663	62%	0.622	S	S	*	*	H	α-helix	trans	-65.2	-39.3	178.2	-103.3	-84.9	0	0	0	112.5	V148 V149 N150 S156	V148-Y152 HydrophobicContact CG1-CD2 4.47Å; V148-Y152 PolarHBondContact O-N 3.49Å; V149-Y152 PolarHBondContact O-N 3.27Å; N150-Y152 PolarHBondContact O-N 3.06Å; Y152-S156 PolarHBondContact O-N 3.39Å
153	M	52	Low	55	Low	129 Å²	129	120.4 Å²	120.4	64%	0.635	60%	0.595	S	S	*	*	H	α-helix	trans	-65.4	-42.6	175	-91	-130.1	-156.5	0	0	112.7	V149 N150 S156 Q157	V149-M153 PolarHBondContact O-N 3.09Å; N150-M153 PolarHBondContact O-N 2.99Å; M153-S156 WeakPolarHBondContact O-CB 3.39Å; M153-S156 PolarHBondContact O-N 3.49Å; M153-Q157 PolarHBondContact O-N 3.26Å
154	Q	61.1	Low	54.7	Low	141 Å²	141	114.3 Å²	114.3	66%	0.659	58%	0.578	S	S	*	*	H	α-helix	trans	-64.3	-41.8	178.7	-79.3	-174	-15.6	0	0	112.3	N150 E151 S156 Q157 A158	N150-Q154 PolarHBondContact O-N 3.2Å; E151-Q154 PolarHBondContact O-N 3.38Å; Q154-S156 VanDerWaalsContact C-N 3.26Å; Q154-S156 PolarHBondContact O-N 3Å; Q154-Q157 PolarHBondContact O-N 3.13Å; Q154-A158 PolarHBondContact O-N 2.93Å
155	R	54.9	Low	54.9	Low	164 Å²	164	112.7 Å²	112.7	62%	0.619	57%	0.572	S	S	*	*	H	α-helix	trans	-61.9	-32.5	175.5	-79.2	-178.9	176.7	160	3.3	113	E151 N159	E151-R155 PolarHBondContact O-N 3.33Å; E151-R155 VanDerWaalsContact O-N 3.11Å; R155-N159 PolarHBondContact O-ND2 3.38Å
156	S	53.2	Low	55	Low	90 Å²	90	109.5 Å²	109.5	63%	0.629	56%	0.561	S	S	*	*	H	α-helix	trans	-68.7	-37.5	176.2	155.7	0	0	0	0	112.7	Y152 M153 Q154	Y152-S156 PolarHBondContact O-N 3.39Å; M153-S156 WeakPolarHBondContact O-CB 3.39Å; M153-S156 PolarHBondContact O-N 3.49Å; Q154-S156 VanDerWaalsContact C-N 3.26Å; Q154-S156 PolarHBondContact O-N 3Å
157	Q	51	Low	54.9	Low	138 Å²	138	103.9 Å²	103.9	65%	0.645	55%	0.547	S	S	*	.	H	α-helix	trans	-72.9	-34.7	-179.3	-77.6	-177.1	-19.2	0	0	113.1	M153 Q154 N159 S163	M153-Q157 PolarHBondContact O-N 3.26Å; Q154-Q157 PolarHBondContact O-N 3.13Å; Q157-N159 PolarHBondContact O-N 3.12Å; Q157-S163 PolarHBondContact O-OG 3.43Å
158	A	54.9	Low	54.5	Low	67 Å²	67	98.9 Å²	98.9	55%	0.554	53%	0.529	S	S	*	.	H	α-helix	trans	-62.6	-25	-179.8	0	0	0	0	0	113.8	Q154 S160 S163	Q154-A158 PolarHBondContact O-N 2.93Å; A158-S160 PolarHBondContact O-N 2.97Å; A158-S163 PolarHBondContact O-OG 2.86Å
159	N	53.9	Low	54.1	Low	142 Å²	142	98 Å²	98	76%	0.759	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	8.7	-172.3	-71.4	-23.5	0	0	0	115.3	R155 Q157	R155-N159 PolarHBondContact O-ND2 3.38Å; Q157-N159 PolarHBondContact O-N 3.12Å
160	S	50.7	Low	54.1	Low	49 Å²	49	98 Å²	98	34%	0.343	53%	0.526	S	S	.	.			trans	-85.8	139.1	-178.7	84	0	0	0	0	112.6	A158 A162 S163 V164	A158-S160 PolarHBondContact O-N 2.97Å; S160-A162 PolarHBondContact O-N 3.18Å; S160-A162 VanDerWaalsContact O-N 3.17Å; S160-S163 PolarHBondContact N-OG 3.43Å; S160-S163 PolarHBondContact O-N 2.84Å; S160-S163 VanDerWaalsContact O-N 3.11Å; S160-S163 PolarHBondContact O-OG 3.29Å; S160-S163 WeakPolarHBondContact OG-CB 3.36Å; S160-S163 PolarHBondContact OG-N 3.3Å; S160-S163 PolarHBondContact OG-OG 3.49Å; S160-V164 PolarHBondContact O-N 2.89Å
161	L	43.2	Very low	53.5	Low	84 Å²	84	96 Å²	96	44%	0.44	52%	0.515	S	S	.	.	H	α-helix	trans	-59.4	-29.3	174.2	-141.6	179.5	0	0	0	111.4	V164 L165 K193	L161-V164 PolarHBondContact O-N 3.4Å; L161-L165 HydrophobicContact CD2-CD1 3.81Å; L161-L165 HydrophobicContact CD2-CG 3.87Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 2.81Å; L161-K193 HydrophobicContact CD1-CD 3.78Å; L161-K193 HydrophobicContact CG-CD 4.47Å
162	A	48.7	Very low	52.9	Low	71 Å²	71	98.2 Å²	98.2	59%	0.587	52%	0.523	S	S	*	.	H	α-helix	trans	-67.6	-41	176.4	0	0	0	0	0	112.2	S160 L165 A166	S160-A162 PolarHBondContact O-N 3.18Å; S160-A162 VanDerWaalsContact O-N 3.17Å; A162-L165 PolarHBondContact O-N 2.97Å; A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.4Å; A162-A166 PolarHBondContact O-N 2.84Å
163	S	52.2	Low	52.6	Low	30 Å²	30	101.2 Å²	101.2	21%	0.21	53%	0.533	C	S	.	.	H	α-helix	trans	-65.7	-40.5	174.1	53.1	0	0	0	0	111.2	Q157 A158 S160 L165 A166 D167	Q157-S163 PolarHBondContact O-OG 3.43Å; A158-S163 PolarHBondContact O-OG 2.86Å; S160-S163 PolarHBondContact N-OG 3.43Å; S160-S163 PolarHBondContact O-N 2.84Å; S160-S163 VanDerWaalsContact O-N 3.11Å; S160-S163 PolarHBondContact O-OG 3.29Å; S160-S163 WeakPolarHBondContact OG-CB 3.36Å; S160-S163 PolarHBondContact OG-N 3.3Å; S160-S163 PolarHBondContact OG-OG 3.49Å; S163-L165 PolarHBondContact O-N 3.33Å; S163-A166 PolarHBondContact O-N 3.41Å; S163-D167 WeakPolarHBondContact O-CB 3.18Å; S163-D167 PolarHBondContact O-N 3.5Å
164	V	51.2	Low	52.6	Low	69 Å²	69	100.2 Å²	100.2	42%	0.418	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-40.2	175.6	178.8	0	0	0	0	112.4	S160 L161 Y168	S160-V164 PolarHBondContact O-N 2.89Å; L161-V164 PolarHBondContact O-N 3.4Å; V164-Y168 WeakPolarHBondContact O-CB 3.41Å; V164-Y168 PolarHBondContact O-N 3.42Å
165	L	50.1	Low	51.5	Low	101 Å²	101	100.7 Å²	100.7	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-72.3	-33.4	176.2	-72.6	173.6	0	0	0	112.5	L161 A162 S163 A169	L161-L165 HydrophobicContact CD2-CD1 3.81Å; L161-L165 HydrophobicContact CD2-CG 3.87Å; L161-L165 WeakPolarHBondContact O-CG 3.4Å; L161-L165 PolarHBondContact O-N 2.81Å; A162-L165 PolarHBondContact O-N 2.97Å; S163-L165 PolarHBondContact O-N 3.33Å; L165-A169 WeakPolarHBondContact O-CB 3.48Å; L165-A169 PolarHBondContact O-N 3.44Å
166	A	54.8	Low	51	Low	45 Å²	45	96.8 Å²	96.8	37%	0.372	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-47.4	174	0	0	0	0	0	110.9	A162 S163 Y168 A169 I170	A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.4Å; A162-A166 PolarHBondContact O-N 2.84Å; S163-A166 PolarHBondContact O-N 3.41Å; A166-Y168 VanDerWaalsContact C-N 3.31Å; A166-Y168 PolarHBondContact O-N 2.85Å; A166-A169 PolarHBondContact O-N 2.92Å; A166-A169 VanDerWaalsContact O-N 3.11Å; A166-I170 WeakPolarHBondContact O-CB 3.46Å; A166-I170 WeakPolarHBondContact O-CG1 3.48Å; A166-I170 PolarHBondContact O-N 2.82Å
167	D	54.3	Low	50.6	Low	106 Å²	106	100.1 Å²	100.1	57%	0.567	55%	0.548	S	S	*	.	H	α-helix	trans	-59.3	-41.8	175.2	-78.6	-12.8	0	0	0	111.1	S163 A169 I170 D171	S163-D167 WeakPolarHBondContact O-CB 3.18Å; S163-D167 PolarHBondContact O-N 3.5Å; D167-A169 PolarHBondContact O-N 3.32Å; D167-I170 PolarHBondContact O-N 3.21Å; D167-D171 VanDerWaalsContact O-CB 3.28Å; D167-D171 WeakPolarHBondContact O-CB 3.47Å; D167-D171 PolarHBondContact O-N 3.45Å
168	Y	48.7	Very low	50.2	Low	97 Å²	97	97.4 Å²	97.4	38%	0.38	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-39.4	174.9	177.6	-104.9	0	0	0	113.1	V164 A166 I170 K172 L186	V164-Y168 WeakPolarHBondContact O-CB 3.41Å; V164-Y168 PolarHBondContact O-N 3.42Å; A166-Y168 VanDerWaalsContact C-N 3.31Å; A166-Y168 PolarHBondContact O-N 2.85Å; Y168-I170 VanDerWaalsContact C-N 3.34Å; Y168-K172 HydrophobicContact CE1-CD 4.46Å; Y168-K172 HydrophobicContact CE2-CD 4.36Å; Y168-K172 HydrophobicContact CE2-CG 4.42Å; Y168-K172 PolarHBondContact O-N 2.81Å; Y168-K172 VanDerWaalsContact OH-CE 3.29Å; Y168-K172 WeakPolarHBondContact OH-CE 3.16Å; Y168-K172 PolarHBondContact OH-NZ 3.45Å; Y168-L186 HydrophobicContact CD2-CD1 3.48Å; Y168-L186 VanDerWaalsContact CD2-CD1 3.48Å; Y168-L186 HydrophobicContact CD2-CD2 4.39Å; Y168-L186 HydrophobicContact CE2-CD1 3.98Å; Y168-L186 HydrophobicContact CG-CD1 4.41Å
169	A	58.8	Low	49.9	Very low	58 Å²	58	97.8 Å²	97.8	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-69.6	-33.7	177.8	0	0	0	0	0	112.1	L165 A166 D167	L165-A169 WeakPolarHBondContact O-CB 3.48Å; L165-A169 PolarHBondContact O-N 3.44Å; A166-A169 PolarHBondContact O-N 2.92Å; A166-A169 VanDerWaalsContact O-N 3.11Å; D167-A169 PolarHBondContact O-N 3.32Å
170	I	56.4	Low	49.7	Very low	91 Å²	91	101.9 Å²	101.9	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-73.2	-48.3	176.8	-68.3	167.4	0	0	0	110	A166 D167 Y168 K172 R173 I174	A166-I170 WeakPolarHBondContact O-CB 3.46Å; A166-I170 WeakPolarHBondContact O-CG1 3.48Å; A166-I170 PolarHBondContact O-N 2.82Å; D167-I170 PolarHBondContact O-N 3.21Å; Y168-I170 VanDerWaalsContact C-N 3.34Å; I170-K172 PolarHBondContact O-N 3Å; I170-R173 PolarHBondContact O-N 3.16Å; I170-I174 HydrophobicContact CG2-CD1 3.5Å; I170-I174 VanDerWaalsContact CG2-CD1 3.5Å; I170-I174 HydrophobicContact CG2-CG1 4.35Å; I170-I174 VanDerWaalsContact O-CG1 3.3Å; I170-I174 WeakPolarHBondContact O-CG1 3.12Å; I170-I174 PolarHBondContact O-N 3.21Å
171	D	52.5	Low	49.8	Very low	68 Å²	68	104.9 Å²	104.9	36%	0.364	56%	0.56	S	S	.	*	H	α-helix	trans	-67.6	-34.6	-174.6	-152.9	32.6	0	0	0	112.2	D167 R173 I174 Y175	D167-D171 VanDerWaalsContact O-CB 3.28Å; D167-D171 WeakPolarHBondContact O-CB 3.47Å; D167-D171 PolarHBondContact O-N 3.45Å; D171-R173 VanDerWaalsContact C-N 3.31Å; D171-R173 PolarHBondContact O-N 2.96Å; D171-I174 PolarHBondContact O-N 3.36Å; D171-Y175 PolarHBondContact O-N 3.46Å
172	K	51.1	Low	50.1	Low	153 Å²	153	103.5 Å²	103.5	67%	0.665	56%	0.558	S	S	*	*	H	α-helix	trans	-71.3	-20.7	171.6	-100.5	-158.1	175.1	-172.6	0	114.9	Y168 I170	Y168-K172 HydrophobicContact CE1-CD 4.46Å; Y168-K172 HydrophobicContact CE2-CD 4.36Å; Y168-K172 HydrophobicContact CE2-CG 4.42Å; Y168-K172 PolarHBondContact O-N 2.81Å; Y168-K172 VanDerWaalsContact OH-CE 3.29Å; Y168-K172 WeakPolarHBondContact OH-CE 3.16Å; Y168-K172 PolarHBondContact OH-NZ 3.45Å; I170-K172 PolarHBondContact O-N 3Å
173	R	51.4	Low	50.3	Low	232 Å²	232	102.8 Å²	102.8	88%	0.875	55%	0.549	S	S	*	.	H	α-helix	trans	-86.8	-25.1	173.8	-100.1	-177.8	178.1	171.7	-0.7	112.3	I170 D171	I170-R173 PolarHBondContact O-N 3.16Å; D171-R173 VanDerWaalsContact C-N 3.31Å; D171-R173 PolarHBondContact O-N 2.96Å
174	I	50.6	Low	50.5	Low	108 Å²	108	110.3 Å²	110.3	55%	0.554	57%	0.574	S	S	*	*	H	α-helix	trans	-105.3	-28.5	-167.9	-61.1	-178.8	0	0	0	113.1	I170 D171	I170-I174 HydrophobicContact CG2-CD1 3.5Å; I170-I174 VanDerWaalsContact CG2-CD1 3.5Å; I170-I174 HydrophobicContact CG2-CG1 4.35Å; I170-I174 VanDerWaalsContact O-CG1 3.3Å; I170-I174 WeakPolarHBondContact O-CG1 3.12Å; I170-I174 PolarHBondContact O-N 3.21Å; D171-I174 PolarHBondContact O-N 3.36Å
175	Y	38.8	Very low	50.7	Low	151 Å²	151	113.4 Å²	113.4	59%	0.592	58%	0.583	S	S	*	*			trans	-129.4	105.9	179.2	-72.3	-78.3	0	0	0	113.2	D171 N177 T178	D171-Y175 PolarHBondContact O-N 3.46Å; Y175-N177 PolarHBondContact O-N 2.98Å; Y175-N177 VanDerWaalsContact O-N 3.08Å; Y175-T178 HydrophobicContact CG-CG2 4.43Å
176	G	44	Very low	50.9	Low	82 Å²	82	111 Å²	111	85%	0.845	57%	0.57	S	S	*	*	S	Bend	trans	-71.1	17.3	172.1	0	0	0	0	0	115.6
177	N	45.6	Very low	50.9	Low	160 Å²	160	112.9 Å²	112.9	86%	0.856	57%	0.574	S	S	*	*			trans	-162.6	90.8	174.8	-100.9	-22.5	0	0	0	109.4	Y175	Y175-N177 PolarHBondContact O-N 2.98Å; Y175-N177 VanDerWaalsContact O-N 3.08Å
178	T	42.7	Very low	51.2	Low	82 Å²	82	113.8 Å²	113.8	50%	0.503	58%	0.575	S	S	.	*			trans	-127.2	143.6	172	57.2	0	0	0	0	111.5	Y175	Y175-T178 HydrophobicContact CG-CG2 4.43Å
179	S	47.9	Very low	51.7	Low	74 Å²	74	112.3 Å²	112.3	52%	0.517	58%	0.576	S	S	.	*			trans	-63.4	154.8	-156.8	57.4	0	0	0	0	115.7	T181 S182	S179-T181 PolarHBondContact O-N 3.42Å; S179-T181 PolarHBondContact OG-OG1 2.89Å; S179-T181 VanDerWaalsContact OG-OG1 3.1Å; S179-S182 PolarHBondContact O-N 3.31Å
180	R	50.1	Low	51.5	Low	229 Å²	229	112.2 Å²	112.2	86%	0.864	57%	0.568	S	S	*	*	H	α-helix	trans	-50.2	-29.1	174.8	-94.7	-179.5	169.2	170.2	-2.4	113.9	S183	R180-S183 PolarHBondContact O-N 3.44Å; R180-S183 PolarHBondContact O-OG 3.28Å
181	T	52.3	Low	51.6	Low	111 Å²	111	109.2 Å²	109.2	68%	0.681	56%	0.555	S	S	*	*	H	α-helix	trans	-72	-33.8	-176.3	42.8	0	0	0	0	113.3	S179 S183	S179-T181 PolarHBondContact O-N 3.42Å; S179-T181 PolarHBondContact OG-OG1 2.89Å; S179-T181 VanDerWaalsContact OG-OG1 3.1Å; T181-S183 VanDerWaalsContact C-N 3.32Å; T181-S183 PolarHBondContact O-N 3.37Å
182	S	50	Low	52.1	Low	55 Å²	55	115 Å²	115	39%	0.385	58%	0.576	S	S	.	*	H	α-helix	trans	-68.2	-32.7	176.4	-177.1	0	0	0	0	112.2	S179 Y184	S179-S182 PolarHBondContact O-N 3.31Å; S182-Y184 VanDerWaalsContact C-N 3.34Å; S182-Y184 PolarHBondContact O-N 3.46Å
183	S	53.6	Low	52.2	Low	57 Å²	57	114.5 Å²	114.5	40%	0.399	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-30.6	-178.5	76.6	0	0	0	0	114.3	R180 T181 N187	R180-S183 PolarHBondContact O-N 3.44Å; R180-S183 PolarHBondContact O-OG 3.28Å; T181-S183 VanDerWaalsContact C-N 3.32Å; T181-S183 PolarHBondContact O-N 3.37Å; S183-N187 WeakPolarHBondContact O-CB 3.34Å; S183-N187 PolarHBondContact O-N 2.9Å; S183-N187 VanDerWaalsContact O-N 3.15Å; S183-N187 PolarHBondContact O-ND2 2.85Å; S183-N187 VanDerWaalsContact O-ND2 3.11Å
184	Y	54.5	Low	52.4	Low	188 Å²	188	108 Å²	108	74%	0.737	56%	0.556	S	S	*	*	H	α-helix	trans	-72.4	-46.1	-177.3	-106.7	-87.3	0	0	0	112.4	S182 L186 N187 Q188	S182-Y184 VanDerWaalsContact C-N 3.34Å; S182-Y184 PolarHBondContact O-N 3.46Å; Y184-L186 VanDerWaalsContact C-N 3.32Å; Y184-L186 PolarHBondContact O-N 3.03Å; Y184-N187 PolarHBondContact O-N 3.32Å; Y184-Q188 PolarHBondContact O-N 3.47Å
185	H	57.2	Low	52.6	Low	134 Å²	134	106.5 Å²	106.5	62%	0.62	57%	0.567	S	S	*	*	H	α-helix	trans	-66.2	-37.7	-177.6	-140.5	-65.1	0	0	0	111.4	Q188 V189	H185-Q188 PolarHBondContact O-N 3.28Å; H185-V189 WeakPolarHBondContact O-CG2 3.02Å; H185-V189 PolarHBondContact O-N 2.97Å; H185-V189 VanDerWaalsContact O-N 3.13Å
186	L	52.7	Low	53.5	Low	49 Å²	49	102 Å²	102	26%	0.257	56%	0.555	S	S	.	*	H	α-helix	trans	-68.1	-41.7	176.3	-121.6	163.5	0	0	0	112.3	Y168 Y184 Q188 V189 L190	Y168-L186 HydrophobicContact CD2-CD1 3.48Å; Y168-L186 VanDerWaalsContact CD2-CD1 3.48Å; Y168-L186 HydrophobicContact CD2-CD2 4.39Å; Y168-L186 HydrophobicContact CE2-CD1 3.98Å; Y168-L186 HydrophobicContact CG-CD1 4.41Å; Y184-L186 VanDerWaalsContact C-N 3.32Å; Y184-L186 PolarHBondContact O-N 3.03Å; L186-Q188 VanDerWaalsContact C-N 3.29Å; L186-Q188 PolarHBondContact O-N 3.27Å; L186-V189 PolarHBondContact O-N 3.24Å; L186-L190 HydrophobicContact CD2-CD1 3.84Å; L186-L190 HydrophobicContact CD2-CG 4.46Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 PolarHBondContact O-N 3.31Å
187	N	55	Low	54.2	Low	85 Å²	85	102.5 Å²	102.5	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-62.6	-37.4	174.6	-79.1	-26.4	0	0	0	111.9	S183 Y184 L190 S191	S183-N187 WeakPolarHBondContact O-CB 3.34Å; S183-N187 PolarHBondContact O-N 2.9Å; S183-N187 VanDerWaalsContact O-N 3.15Å; S183-N187 PolarHBondContact O-ND2 2.85Å; S183-N187 VanDerWaalsContact O-ND2 3.11Å; Y184-N187 PolarHBondContact O-N 3.32Å; N187-L190 PolarHBondContact O-N 3.47Å; N187-S191 VanDerWaalsContact O-CB 3.27Å; N187-S191 WeakPolarHBondContact O-CB 3.48Å; N187-S191 PolarHBondContact O-N 3.48Å; N187-S191 PolarHBondContact O-OG 2.92Å
188	Q	61.6	Low	54.6	Low	126 Å²	126	99.1 Å²	99.1	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-67.6	-38.1	178	-139	177.6	14.8	0	0	112.5	Y184 H185 L186 S191 K192	Y184-Q188 PolarHBondContact O-N 3.47Å; H185-Q188 PolarHBondContact O-N 3.28Å; L186-Q188 VanDerWaalsContact C-N 3.29Å; L186-Q188 PolarHBondContact O-N 3.27Å; Q188-S191 PolarHBondContact O-OG 3.1Å; Q188-S191 VanDerWaalsContact O-OG 3.09Å; Q188-K192 PolarHBondContact O-N 3.48Å
189	V	59.1	Low	55.4	Low	66 Å²	66	102.1 Å²	102.1	40%	0.4	55%	0.546	S	S	.	.	H	α-helix	trans	-71.8	-40.3	176.6	175.4	0	0	0	0	111.1	H185 L186 K193	H185-V189 WeakPolarHBondContact O-CG2 3.02Å; H185-V189 PolarHBondContact O-N 2.97Å; H185-V189 VanDerWaalsContact O-N 3.13Å; L186-V189 PolarHBondContact O-N 3.24Å; V189-K193 PolarHBondContact O-N 3.33Å
190	L	54.5	Low	55.8	Low	56 Å²	56	102.7 Å²	102.7	29%	0.293	54%	0.539	S	S	.	.	H	α-helix	trans	-69.4	-41.2	176.6	-84.5	160	0	0	0	112.6	L186 N187 K192 K193 L194	L186-L190 HydrophobicContact CD2-CD1 3.84Å; L186-L190 HydrophobicContact CD2-CG 4.46Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 PolarHBondContact O-N 3.31Å; N187-L190 PolarHBondContact O-N 3.47Å; L190-K192 VanDerWaalsContact C-N 3.34Å; L190-K192 PolarHBondContact O-N 3.44Å; L190-K193 PolarHBondContact O-N 3.46Å; L190-L194 HydrophobicContact CB-CD1 4.36Å; L190-L194 HydrophobicContact CD2-CD1 3.64Å; L190-L194 WeakPolarHBondContact O-CB 3.36Å; L190-L194 PolarHBondContact O-N 2.61Å
191	S	59.2	Low	56.2	Low	28 Å²	28	101.3 Å²	101.3	20%	0.196	53%	0.534	C	S	.	.	H	α-helix	trans	-64	-40.9	178.4	67.5	0	0	0	0	111.3	N187 Q188 K193 G195	N187-S191 VanDerWaalsContact O-CB 3.27Å; N187-S191 WeakPolarHBondContact O-CB 3.48Å; N187-S191 PolarHBondContact O-N 3.48Å; N187-S191 PolarHBondContact O-OG 2.92Å; Q188-S191 PolarHBondContact O-OG 3.1Å; Q188-S191 VanDerWaalsContact O-OG 3.09Å; S191-K193 VanDerWaalsContact C-N 3.28Å; S191-K193 PolarHBondContact O-N 2.67Å; S191-G195 PolarHBondContact O-N 3.15Å
192	K	62.2	Low	56.3	Low	189 Å²	189	101.3 Å²	101.3	82%	0.822	53%	0.534	S	S	*	.	H	α-helix	trans	-60.9	-33.5	174.3	-98.3	-175.7	174.2	179.1	0	113	Q188 L190	Q188-K192 PolarHBondContact O-N 3.48Å; L190-K192 VanDerWaalsContact C-N 3.34Å; L190-K192 PolarHBondContact O-N 3.44Å
193	K	52.4	Low	56.8	Low	142 Å²	142	105.4 Å²	105.4	62%	0.617	55%	0.547	S	S	*	.	H	α-helix	trans	-94.4	-21.8	-176.2	-69.3	-153.9	178.6	-154	0	115.5	L161 V189 L190 S191	L161-K193 HydrophobicContact CD1-CD 3.78Å; L161-K193 HydrophobicContact CG-CD 4.47Å; V189-K193 PolarHBondContact O-N 3.33Å; L190-K193 PolarHBondContact O-N 3.46Å; S191-K193 VanDerWaalsContact C-N 3.28Å; S191-K193 PolarHBondContact O-N 2.67Å
194	L	56.8	Low	57.3	Low	96 Å²	96	107.1 Å²	107.1	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-99.9	-0.4	-178.9	-81	148.4	0	0	0	114.4	L190 T196	L190-L194 HydrophobicContact CB-CD1 4.36Å; L190-L194 HydrophobicContact CD2-CD1 3.64Å; L190-L194 WeakPolarHBondContact O-CB 3.36Å; L190-L194 PolarHBondContact O-N 2.61Å; L194-T196 PolarHBondContact O-N 3.15Å; L194-T196 VanDerWaalsContact O-N 3.14Å
195	G	55.4	Low	57.1	Low	76 Å²	76	103.8 Å²	103.8	78%	0.784	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	22.2	179.9	0	0	0	0	0	114	S191	S191-G195 PolarHBondContact O-N 3.15Å
196	T	57.5	Low	57	Low	56 Å²	56	105.9 Å²	105.9	34%	0.344	54%	0.54	S	S	.	.			trans	-108.7	138.9	-178.4	45.9	0	0	0	0	110.3	L194 F200	L194-T196 PolarHBondContact O-N 3.15Å; L194-T196 VanDerWaalsContact O-N 3.14Å; T196-F200 HydrophobicContact CG2-CE2 4.25Å
197	P	58.5	Low	57.6	Low	93 Å²	93	107.8 Å²	107.8	60%	0.604	55%	0.55	S	S	*	*			trans	-56.7	142.2	174.9	21.5	-31.8	0	0	0	110.6	N199 F200	P197-N199 PolarHBondContact O-N 3.06Å; P197-F200 HydrophobicContact CG-CD2 4.12Å; P197-F200 HydrophobicContact CG-CE2 3.95Å
198	S	54.3	Low	57.8	Low	89 Å²	89	109.1 Å²	109.1	62%	0.622	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-12	-173.6	46.5	0	0	0	0	115.1
199	N	58.9	Low	57.5	Low	146 Å²	146	107.9 Å²	107.9	78%	0.781	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	26	-170.2	-69.7	-6.5	0	0	0	115	P197 R201	P197-N199 PolarHBondContact O-N 3.06Å; N199-R201 PolarHBondContact O-N 2.81Å
200	F	55.3	Low	57.6	Low	86 Å²	86	110 Å²	110	38%	0.377	56%	0.558	S	S	.	*			trans	-71	110.9	179.4	-106.2	-87.9	0	0	0	113	T196 P197 N204 R205	T196-F200 HydrophobicContact CG2-CE2 4.25Å; P197-F200 HydrophobicContact CG-CD2 4.12Å; P197-F200 HydrophobicContact CG-CE2 3.95Å; F200-N204 HydrophobicContact CD1-CB 4.04Å; F200-N204 HydrophobicContact CE1-CB 4.1Å; F200-R205 HydrophobicContact CD1-CB 4.21Å
201	R	59.7	Low	58	Low	200 Å²	200	109.7 Å²	109.7	76%	0.755	56%	0.56	S	S	*	*			trans	-56.5	138.1	164.5	-91.4	-177.8	180	-178.1	0.7	110.4	N199 Q203 N204 R205	N199-R201 PolarHBondContact O-N 2.81Å; R201-Q203 PolarHBondContact O-N 2.93Å; R201-Q203 VanDerWaalsContact O-N 3.15Å; R201-N204 PolarHBondContact O-N 3.33Å; R201-R205 PolarHBondContact O-N 3.42Å
202	V	54.8	Low	57.8	Low	110 Å²	110	112.6 Å²	112.6	67%	0.667	57%	0.573	S	S	*	*	H	α-helix	trans	-53	-38	-177.3	179.4	0	0	0	0	112.8	R206	V202-R206 PolarHBondContact O-N 3.42Å
203	Q	59.9	Low	57	Low	141 Å²	141	106 Å²	106	66%	0.659	55%	0.554	S	S	*	*	H	α-helix	trans	-60.9	-47	176.3	-119.7	93.6	-8.3	0	0	112.7	R201 R205 R206 N207	R201-Q203 PolarHBondContact O-N 2.93Å; R201-Q203 VanDerWaalsContact O-N 3.15Å; Q203-R205 VanDerWaalsContact C-N 3.32Å; Q203-R205 PolarHBondContact O-N 3.11Å; Q203-R206 WeakPolarHBondContact O-CB 3.45Å; Q203-R206 PolarHBondContact O-N 3.3Å; Q203-N207 PolarHBondContact O-N 2.99Å
204	N	62.9	Low	57.2	Low	93 Å²	93	106.8 Å²	106.8	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-68	-36	-175.4	-71.2	-0.6	0	0	0	111.1	F200 R201 N207 H208	F200-N204 HydrophobicContact CD1-CB 4.04Å; F200-N204 HydrophobicContact CE1-CB 4.1Å; R201-N204 PolarHBondContact O-N 3.33Å; N204-N207 PolarHBondContact O-N 3.38Å; N204-H208 PolarHBondContact O-N 3.44Å
205	R	51.6	Low	57.1	Low	118 Å²	118	109.8 Å²	109.8	45%	0.445	56%	0.564	S	S	.	*	H	α-helix	trans	-64.2	-40.8	175	-159.5	174.2	167.4	-177.1	-4	111.8	F200 R201 Q203 V209	F200-R205 HydrophobicContact CD1-CB 4.21Å; R201-R205 PolarHBondContact O-N 3.42Å; Q203-R205 VanDerWaalsContact C-N 3.32Å; Q203-R205 PolarHBondContact O-N 3.11Å; R205-V209 WeakPolarHBondContact O-CG2 3.34Å; R205-V209 PolarHBondContact O-N 3.16Å
206	R	55.2	Low	56.3	Low	178 Å²	178	112.7 Å²	112.7	67%	0.672	56%	0.561	S	S	*	*	H	α-helix	trans	-64	-41	172.5	-87.9	-177.4	172.8	-178.6	-1.4	112.6	V202 Q203 K210	V202-R206 PolarHBondContact O-N 3.42Å; Q203-R206 WeakPolarHBondContact O-CB 3.45Å; Q203-R206 PolarHBondContact O-N 3.3Å; R206-K210 WeakPolarHBondContact O-CG 3.42Å; R206-K210 PolarHBondContact O-N 3.06Å
207	N	65.9	Low	56.1	Low	89 Å²	89	117 Å²	117	48%	0.476	58%	0.581	S	S	.	*	H	α-helix	trans	-69	-37.7	-178	-71.7	-14.4	0	0	0	112.2	Q203 N204 K210 S211	Q203-N207 PolarHBondContact O-N 2.99Å; N204-N207 PolarHBondContact O-N 3.38Å; N207-K210 PolarHBondContact O-N 2.86Å; N207-S211 PolarHBondContact O-N 3.42Å
208	H	59.3	Low	55.8	Low	114 Å²	114	121.5 Å²	121.5	53%	0.528	59%	0.591	S	S	.	*	H	α-helix	trans	-68	-39.4	177.3	-164.5	51.9	0	0	0	112.4	N204 K210 S211 I212	N204-H208 PolarHBondContact O-N 3.44Å; H208-K210 VanDerWaalsContact C-N 3.31Å; H208-K210 PolarHBondContact O-N 3.26Å; H208-S211 PolarHBondContact O-N 2.72Å; H208-S211 PolarHBondContact O-OG 3.27Å; H208-I212 WeakPolarHBondContact O-CG1 3.42Å; H208-I212 PolarHBondContact O-N 2.96Å
209	V	54.3	Low	55	Low	99 Å²	99	122.1 Å²	122.1	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-64.6	-37.4	172.1	175.9	0	0	0	0	111.2	R205 A213	R205-V209 WeakPolarHBondContact O-CG2 3.34Å; R205-V209 PolarHBondContact O-N 3.16Å; V209-A213 PolarHBondContact O-N 3.42Å
210	K	61	Low	54.3	Low	112 Å²	112	124.4 Å²	124.4	49%	0.487	60%	0.599	S	S	.	*	H	α-helix	trans	-68.2	-31.5	175.4	-77.9	-179.5	178.8	-177	0	113.6	R206 N207 H208 R214	R206-K210 WeakPolarHBondContact O-CG 3.42Å; R206-K210 PolarHBondContact O-N 3.06Å; N207-K210 PolarHBondContact O-N 2.86Å; H208-K210 VanDerWaalsContact C-N 3.31Å; H208-K210 PolarHBondContact O-N 3.26Å; K210-R214 WeakPolarHBondContact O-CG 3.41Å; K210-R214 PolarHBondContact O-N 3.4Å
211	S	63.2	Low	53.4	Low	48 Å²	48	126.7 Å²	126.7	34%	0.336	62%	0.622	S	S	.	*	H	α-helix	trans	-71.3	-44.6	179.1	61.2	0	0	0	0	111.6	N207 H208 A213 R214 E215	N207-S211 PolarHBondContact O-N 3.42Å; H208-S211 PolarHBondContact O-N 2.72Å; H208-S211 PolarHBondContact O-OG 3.27Å; S211-A213 PolarHBondContact O-N 2.9Å; S211-R214 PolarHBondContact O-N 3.29Å; S211-E215 PolarHBondContact O-N 3.27Å; S211-E215 VanDerWaalsContact O-N 3.1Å
212	I	53.8	Low	52.3	Low	89 Å²	89	125.8 Å²	125.8	46%	0.456	63%	0.627	S	S	.	*	H	α-helix	trans	-57.8	-41	175.5	-63	168.4	0	0	0	110.3	H208 R214 L216	H208-I212 WeakPolarHBondContact O-CG1 3.42Å; H208-I212 PolarHBondContact O-N 2.96Å; I212-R214 VanDerWaalsContact C-N 3.35Å; I212-R214 PolarHBondContact O-N 3.38Å; I212-L216 WeakPolarHBondContact O-CG 3.45Å
213	A	47.2	Very low	51.4	Low	51 Å²	51	129.3 Å²	129.3	42%	0.421	64%	0.641	S	S	.	*	H	α-helix	trans	-67.6	-28.9	176.7	0	0	0	0	0	114.2	V209 S211 L217	V209-A213 PolarHBondContact O-N 3.42Å; S211-A213 PolarHBondContact O-N 2.9Å; A213-L217 WeakPolarHBondContact O-CD1 3.37Å
214	R	56.5	Low	50.2	Low	159 Å²	159	129.6 Å²	129.6	60%	0.6	65%	0.647	S	S	*	*	H	α-helix	trans	-82.2	-33.9	-179.4	-76.9	177.1	-167.6	145.3	-3.4	113.4	K210 S211 I212 L216 L217	K210-R214 WeakPolarHBondContact O-CG 3.41Å; K210-R214 PolarHBondContact O-N 3.4Å; S211-R214 PolarHBondContact O-N 3.29Å; I212-R214 VanDerWaalsContact C-N 3.35Å; I212-R214 PolarHBondContact O-N 3.38Å; R214-L216 VanDerWaalsContact C-N 3.31Å; R214-L217 PolarHBondContact O-N 2.9Å
215	E	53.3	Low	49.2	Very low	158 Å²	158	131.3 Å²	131.3	74%	0.738	66%	0.661	S	S	*	*	H	α-helix	trans	-64.2	-39.5	176.2	-81.2	-173.8	158.1	0	0	111.5	S211 L217 K218	S211-E215 PolarHBondContact O-N 3.27Å; S211-E215 VanDerWaalsContact O-N 3.1Å; E215-L217 PolarHBondContact O-N 2.9Å; E215-L217 VanDerWaalsContact O-N 3.16Å; E215-K218 PolarHBondContact O-N 2.81Å
216	L	40.1	Very low	48.7	Very low	137 Å²	137	133.7 Å²	133.7	72%	0.717	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-18	177.8	-66.9	170.5	0	0	0	113.9	I212 R214	I212-L216 WeakPolarHBondContact O-CG 3.45Å; R214-L216 VanDerWaalsContact C-N 3.31Å
217	L	52.2	Low	47.9	Very low	146 Å²	146	133 Å²	133	76%	0.764	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-9.5	-176.2	-75.2	169.2	0	0	0	114.6	A213 R214 E215	A213-L217 WeakPolarHBondContact O-CD1 3.37Å; R214-L217 PolarHBondContact O-N 2.9Å; E215-L217 PolarHBondContact O-N 2.9Å; E215-L217 VanDerWaalsContact O-N 3.16Å
218	K	52.2	Low	46.6	Very low	188 Å²	188	135.5 Å²	135.5	82%	0.817	70%	0.696	S	S	*	*			trans	-92.8	-8.7	-170.7	-86.3	-175.9	174	-175.5	0	116.1	E215	E215-K218 PolarHBondContact O-N 2.81Å
219	S	38.5	Very low	45.7	Very low	103 Å²	103	131.6 Å²	131.6	72%	0.72	68%	0.683	S	S	*	*			trans	-90.6	109.2	-178.9	57.1	0	0	0	0	112.6
220	K	43.5	Very low	44.9	Very low	193 Å²	193	135.3 Å²	135.3	84%	0.839	69%	0.687	S	S	*	*			trans	-142.2	138.9	168.4	-83.7	-167.9	176	-171.9	0	111.4
221	P	37	Very low	44	Very low	134 Å²	134	132.6 Å²	132.6	87%	0.87	69%	0.691	S	S	*	*			trans	-121.9	158	153.8	27	-8.6	0	0	0	113.7
222	Q	36.4	Very low	43.1	Very low	181 Å²	181	134.3 Å²	134.3	85%	0.846	69%	0.69	S	S	*	*			trans	-92.6	152.6	-161	-60.3	165.7	-30.1	0	0	114
223	L	36.1	Very low	42.8	Very low	184 Å²	184	138.7 Å²	138.7	96%	0.963	70%	0.701	S	S	*	*			trans	-149.6	133.9	153	-104.3	114.3	0	0	0	112.3
224	N	34.5	Very low	42.9	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	71%	0.712	S	S	*	*			trans	-92.7	145.7	179.3	-64.7	-30.5	0	0	0	111.2
225	T	42.1	Very low	42.4	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	70%	0.698	S	S	*	*			trans	-168.7	135.3	141.4	30.7	0	0	0	0	109.3	D227	T225-D227 PolarHBondContact O-N 3.34Å
226	E	40	Very low	42.3	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-6.3	-149.4	-63.8	-179.7	143.8	0	0	115.8	A229	E226-A229 WeakPolarHBondContact O-CB 3.33Å; E226-A229 PolarHBondContact O-N 2.75Å
227	D	38.6	Very low	43.2	Very low	164 Å²	164	137.2 Å²	137.2	88%	0.877	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-16.7	-170.5	-62.8	-33.4	0	0	0	114.2	T225 A229	T225-D227 PolarHBondContact O-N 3.34Å; D227-A229 VanDerWaalsContact C-N 3.32Å
228	E	39	Very low	43.3	Very low	141 Å²	141	132.9 Å²	132.9	66%	0.659	67%	0.665	S	S	*	*	S	Bend	trans	-82.5	-14.7	166.5	-69	-169.7	169.9	0	0	111.8	Y230 W232	E228-Y230 VanDerWaalsContact C-N 3.27Å; E228-Y230 PolarHBondContact O-N 2.91Å; E228-Y230 VanDerWaalsContact O-N 3.17Å; E228-W232 WeakPolarHBondContact O-CB 3.1Å; E228-W232 PolarHBondContact O-N 3.33Å
229	A	39.5	Very low	43.2	Very low	31 Å²	31	126.1 Å²	126.1	26%	0.256	64%	0.637	S	S	.	*	H	α-helix	trans	-65.2	-24.6	-171.2	0	0	0	0	0	113.6	E226 D227 R233	E226-A229 WeakPolarHBondContact O-CB 3.33Å; E226-A229 PolarHBondContact O-N 2.75Å; D227-A229 VanDerWaalsContact C-N 3.32Å; A229-R233 WeakPolarHBondContact O-CA 3.3Å; A229-R233 WeakPolarHBondContact O-CB 3.4Å; A229-R233 WeakPolarHBondContact O-CD 3.43Å; A229-R233 WeakPolarHBondContact O-CG 3.26Å; A229-R233 PolarHBondContact O-N 3.03Å
230	Y	37.7	Very low	44.4	Very low	178 Å²	178	125.7 Å²	125.7	70%	0.698	62%	0.624	S	S	*	*	H	α-helix	trans	-72.2	-48.5	-177.4	-120.7	-89.8	0	0	0	112.7	E228 Y234	E228-Y230 VanDerWaalsContact C-N 3.27Å; E228-Y230 PolarHBondContact O-N 2.91Å; E228-Y230 VanDerWaalsContact O-N 3.17Å; Y230-Y234 HydrophobicContact CD1-CD2 4.49Å; Y230-Y234 HydrophobicContact CD1-CE2 4.35Å; Y230-Y234 HydrophobicContact CE1-CE2 4.4Å; Y230-Y234 WeakPolarHBondContact O-CD2 3.27Å; Y230-Y234 PolarHBondContact O-N 2.81Å
231	G	43.1	Very low	45.5	Very low	55 Å²	55	123 Å²	123	57%	0.567	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-42.1	175.1	0	0	0	0	0	111.7	Y234 F235	G231-Y234 PolarHBondContact O-N 3.02Å; G231-F235 PolarHBondContact O-N 3.32Å
232	W	44.3	Very low	46.3	Very low	83 Å²	83	117 Å²	117	31%	0.314	57%	0.574	S	S	.	*	H	α-helix	trans	-69.5	-36.7	178.2	-78.2	108.6	0	0	0	113.4	E228 F235 H236 V273	E228-W232 WeakPolarHBondContact O-CB 3.1Å; E228-W232 PolarHBondContact O-N 3.33Å; W232-F235 HydrophobicContact CE3-CD1 4.15Å; W232-F235 HydrophobicContact CZ3-CD1 4.07Å; W232-F235 HydrophobicContact CZ3-CE1 4.41Å; W232-F235 PolarHBondContact O-N 2.86Å; W232-H236 VanDerWaalsContact O-CB 3.32Å; W232-H236 WeakPolarHBondContact O-CB 3.14Å; W232-H236 PolarHBondContact O-N 3.38Å; W232-V273 HydrophobicContact CH2-CG1 4.22Å; W232-V273 HydrophobicContact CH2-CG2 4.27Å; W232-V273 HydrophobicContact CZ3-CB 4.43Å; W232-V273 HydrophobicContact CZ3-CG1 3.84Å; W232-V273 HydrophobicContact CZ3-CG2 4.01Å
233	R	46.6	Very low	47.6	Very low	181 Å²	181	111.6 Å²	111.6	68%	0.683	55%	0.554	S	S	*	*	H	α-helix	trans	-63.2	-41.3	173.4	-82.3	173.4	176.5	-171.8	2.1	111.5	A229 H236 K237	A229-R233 WeakPolarHBondContact O-CA 3.3Å; A229-R233 WeakPolarHBondContact O-CB 3.4Å; A229-R233 WeakPolarHBondContact O-CD 3.43Å; A229-R233 WeakPolarHBondContact O-CG 3.26Å; A229-R233 PolarHBondContact O-N 3.03Å; R233-H236 PolarHBondContact O-N 3.29Å; R233-K237 WeakPolarHBondContact O-CB 3.41Å; R233-K237 PolarHBondContact O-N 3.41Å
234	Y	49.8	Very low	49.2	Very low	167 Å²	167	107.7 Å²	107.7	66%	0.655	53%	0.529	S	S	*	.	H	α-helix	trans	-62.9	-45.2	175.7	-98.8	-81.9	0	0	0	111.7	Y230 G231 K237 A238	Y230-Y234 HydrophobicContact CD1-CD2 4.49Å; Y230-Y234 HydrophobicContact CD1-CE2 4.35Å; Y230-Y234 HydrophobicContact CE1-CE2 4.4Å; Y230-Y234 WeakPolarHBondContact O-CD2 3.27Å; Y230-Y234 PolarHBondContact O-N 2.81Å; G231-Y234 PolarHBondContact O-N 3.02Å; Y234-K237 PolarHBondContact O-N 3.47Å; Y234-A238 WeakPolarHBondContact O-CB 3.36Å; Y234-A238 PolarHBondContact O-N 3.38Å
235	F	46	Very low	50.5	Low	69 Å²	69	105.4 Å²	105.4	30%	0.303	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-43.5	177	-175.6	-96.3	0	0	0	112.2	G231 W232 K237 A238 L239 A269 V273	G231-F235 PolarHBondContact O-N 3.32Å; W232-F235 HydrophobicContact CE3-CD1 4.15Å; W232-F235 HydrophobicContact CZ3-CD1 4.07Å; W232-F235 HydrophobicContact CZ3-CE1 4.41Å; W232-F235 PolarHBondContact O-N 2.86Å; F235-K237 PolarHBondContact O-N 3.46Å; F235-A238 WeakPolarHBondContact O-CB 3.26Å; F235-A238 PolarHBondContact O-N 3.18Å; F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CE1-CD1 3.25Å; F235-L239 HydrophobicContact CE1-CG 4.02Å; F235-L239 HydrophobicContact CZ-CD1 3.88Å; F235-L239 HydrophobicContact CZ-CG 4.27Å; F235-L239 PolarHBondContact O-N 2.99Å; F235-A269 HydrophobicContact CE2-CB 4.48Å; F235-A269 HydrophobicContact CZ-CB 4.23Å; F235-V273 HydrophobicContact CD1-CG2 4.19Å; F235-V273 HydrophobicContact CE1-CB 4.38Å; F235-V273 HydrophobicContact CE1-CG1 4.47Å; F235-V273 HydrophobicContact CE1-CG2 3.19Å; F235-V273 HydrophobicContact CZ-CG2 3.44Å; F235-V273 VanDerWaalsContact CZ-CG2 3.44Å
236	H	51.3	Low	51.4	Low	110 Å²	110	103.8 Å²	103.8	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-62.4	-41.2	174.5	-117	-72.2	0	0	0	112	W232 R233 A238 L239 E240	W232-H236 VanDerWaalsContact O-CB 3.32Å; W232-H236 WeakPolarHBondContact O-CB 3.14Å; W232-H236 PolarHBondContact O-N 3.38Å; R233-H236 PolarHBondContact O-N 3.29Å; H236-A238 VanDerWaalsContact C-N 3.31Å; H236-A238 PolarHBondContact O-N 2.81Å; H236-L239 PolarHBondContact O-N 3.22Å; H236-E240 VanDerWaalsContact O-CB 3.29Å; H236-E240 WeakPolarHBondContact O-CB 3.34Å; H236-E240 PolarHBondContact O-N 3.33Å
237	K	59.1	Low	52.8	Low	129 Å²	129	101.2 Å²	101.2	56%	0.561	49%	0.488	S	S	*	.	H	α-helix	trans	-66.2	-34.3	176.9	-166.9	173.5	-171.4	175.1	0	111.6	R233 Y234 F235 K241	R233-K237 WeakPolarHBondContact O-CB 3.41Å; R233-K237 PolarHBondContact O-N 3.41Å; Y234-K237 PolarHBondContact O-N 3.47Å; F235-K237 PolarHBondContact O-N 3.46Å; K237-K241 WeakPolarHBondContact O-CB 3.44Å; K237-K241 WeakPolarHBondContact O-CG 3.45Å; K237-K241 PolarHBondContact O-N 2.83Å
238	A	54.8	Low	54.2	Low	55 Å²	55	98.4 Å²	98.4	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-67.4	-45.8	172.7	0	0	0	0	0	111.6	Y234 F235 H236 K241 A242	Y234-A238 WeakPolarHBondContact O-CB 3.36Å; Y234-A238 PolarHBondContact O-N 3.38Å; F235-A238 WeakPolarHBondContact O-CB 3.26Å; F235-A238 PolarHBondContact O-N 3.18Å; H236-A238 VanDerWaalsContact C-N 3.31Å; H236-A238 PolarHBondContact O-N 2.81Å; A238-K241 PolarHBondContact O-N 3.46Å; A238-A242 WeakPolarHBondContact O-CB 3.38Å; A238-A242 PolarHBondContact O-N 3.38Å
239	L	50	Low	55.1	Low	46 Å²	46	92.8 Å²	92.8	24%	0.241	45%	0.447	C	S	.	.	H	α-helix	trans	-61.4	-43.6	173.5	-84.7	171.9	0	0	0	112	F235 H236 A242 T243 M266	F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CE1-CD1 3.25Å; F235-L239 HydrophobicContact CE1-CG 4.02Å; F235-L239 HydrophobicContact CZ-CD1 3.88Å; F235-L239 HydrophobicContact CZ-CG 4.27Å; F235-L239 PolarHBondContact O-N 2.99Å; H236-L239 PolarHBondContact O-N 3.22Å; L239-A242 CarbonylContact O-C 3.59Å; L239-A242 WeakPolarHBondContact O-CB 3.5Å; L239-A242 PolarHBondContact O-N 2.99Å; L239-T243 WeakPolarHBondContact O-CG2 3.31Å; L239-T243 PolarHBondContact O-N 2.98Å; L239-T243 PolarHBondContact O-OG1 2.74Å; L239-M266 HydrophobicContact CD2-SD 4.08Å
240	E	64	Low	56.2	Low	94 Å²	94	94.9 Å²	94.9	44%	0.439	47%	0.465	S	S	.	.	H	α-helix	trans	-65.8	-38.5	178.9	-165.3	-165.3	158.2	0	0	111.7	H236 A242 T243 K244	H236-E240 VanDerWaalsContact O-CB 3.29Å; H236-E240 WeakPolarHBondContact O-CB 3.34Å; H236-E240 PolarHBondContact O-N 3.33Å; E240-A242 VanDerWaalsContact C-N 3.35Å; E240-T243 WeakPolarHBondContact CA-OG1 3.41Å; E240-T243 PolarHBondContact O-OG1 2.95Å; E240-K244 VanDerWaalsContact O-CB 3.32Å; E240-K244 WeakPolarHBondContact O-CB 3.27Å; E240-K244 VanDerWaalsContact O-CG 3.28Å; E240-K244 WeakPolarHBondContact O-CG 3.27Å; E240-K244 PolarHBondContact O-N 3.1Å; E240-K244 WeakPolarHBondContact OE1-CE 3.48Å; E240-K244 IonicContact OE1-NZ 2.92Å; E240-K244 PolarHBondContact OE1-NZ 3.29Å
241	K	66.1	Low	57.9	Low	135 Å²	135	94.5 Å²	94.5	59%	0.587	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-40.9	171.2	-82.1	-177.5	176.8	-175.1	0	111.6	K237 A238 K244 M245	K237-K241 WeakPolarHBondContact O-CB 3.44Å; K237-K241 WeakPolarHBondContact O-CG 3.45Å; K237-K241 PolarHBondContact O-N 2.83Å; A238-K241 PolarHBondContact O-N 3.46Å; K241-K244 PolarHBondContact O-N 3.49Å; K241-M245 PolarHBondContact O-N 3.22Å
242	A	54.4	Low	59.3	Low	9 Å²	9	97.5 Å²	97.5	7%	0.074	47%	0.469	C	S	.	.	H	α-helix	trans	-66.8	-43.6	177.6	0	0	0	0	0	111.8	A238 L239 E240 M245 I246 M266	A238-A242 WeakPolarHBondContact O-CB 3.38Å; A238-A242 PolarHBondContact O-N 3.38Å; L239-A242 CarbonylContact O-C 3.59Å; L239-A242 WeakPolarHBondContact O-CB 3.5Å; L239-A242 PolarHBondContact O-N 2.99Å; E240-A242 VanDerWaalsContact C-N 3.35Å; A242-M245 PolarHBondContact O-N 2.94Å; A242-I246 VanDerWaalsContact O-CG1 3.31Å; A242-I246 WeakPolarHBondContact O-CG1 3.48Å; A242-I246 PolarHBondContact O-N 3.33Å; A242-M266 HydrophobicContact CB-CE 3.63Å
243	T	62.9	Low	60	Low	68 Å²	68	102.8 Å²	102.8	42%	0.417	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-40.2	174.6	56.5	0	0	0	0	111.1	L239 E240 M245 I246 E247	L239-T243 WeakPolarHBondContact O-CG2 3.31Å; L239-T243 PolarHBondContact O-N 2.98Å; L239-T243 PolarHBondContact O-OG1 2.74Å; E240-T243 WeakPolarHBondContact CA-OG1 3.41Å; E240-T243 PolarHBondContact O-OG1 2.95Å; T243-M245 PolarHBondContact O-N 2.72Å; T243-I246 CarbonylContact O-C 3.59Å; T243-I246 PolarHBondContact O-N 2.64Å; T243-E247 WeakPolarHBondContact O-CB 3.37Å; T243-E247 WeakPolarHBondContact O-CG 3.46Å; T243-E247 PolarHBondContact O-N 2.99Å
244	K	69.9	Low	60.5	Low	102 Å²	102	103.4 Å²	103.4	44%	0.443	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-39.7	171.8	-77.5	176.3	-174	168.8	0	112.2	E240 K241 E247 M248	E240-K244 VanDerWaalsContact O-CB 3.32Å; E240-K244 WeakPolarHBondContact O-CB 3.27Å; E240-K244 VanDerWaalsContact O-CG 3.28Å; E240-K244 WeakPolarHBondContact O-CG 3.27Å; E240-K244 PolarHBondContact O-N 3.1Å; E240-K244 WeakPolarHBondContact OE1-CE 3.48Å; E240-K244 IonicContact OE1-NZ 2.92Å; E240-K244 PolarHBondContact OE1-NZ 3.29Å; K241-K244 PolarHBondContact O-N 3.49Å; K244-E247 PolarHBondContact O-N 3.07Å; K244-M248 WeakPolarHBondContact O-CB 3.05Å; K244-M248 WeakPolarHBondContact O-CG 2.98Å; K244-M248 PolarHBondContact O-N 3.08Å
245	M	62.1	Low	60.5	Low	98 Å²	98	101.3 Å²	101.3	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-40.4	173.1	-80	-164.3	-74.4	0	0	112.3	K241 A242 T243 M248 S249 I256	K241-M245 PolarHBondContact O-N 3.22Å; A242-M245 PolarHBondContact O-N 2.94Å; T243-M245 PolarHBondContact O-N 2.72Å; M245-M248 HydrophobicContact CG-CE 4.37Å; M245-S249 WeakPolarHBondContact O-CB 3.39Å; M245-S249 PolarHBondContact O-N 3.49Å; M245-S249 PolarHBondContact O-OG 3.05Å; M245-I256 HydrophobicContact CB-CD1 4.42Å
246	I	60.1	Low	61	Low	96 Å²	96	102.1 Å²	102.1	49%	0.492	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-42.8	175.5	-65.3	165.2	0	0	0	110.9	A242 T243 S249 A250	A242-I246 VanDerWaalsContact O-CG1 3.31Å; A242-I246 WeakPolarHBondContact O-CG1 3.48Å; A242-I246 PolarHBondContact O-N 3.33Å; T243-I246 CarbonylContact O-C 3.59Å; T243-I246 PolarHBondContact O-N 2.64Å; I246-S249 WeakPolarHBondContact CA-OG 3.4Å; I246-S249 PolarHBondContact O-N 3.36Å; I246-S249 PolarHBondContact O-OG 2.94Å; I246-A250 WeakPolarHBondContact O-CB 3.49Å; I246-A250 PolarHBondContact O-N 3.21Å
247	E	70.4	Confident	61.3	Low	115 Å²	115	106.6 Å²	106.6	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-68.1	-40.6	176.2	-76.7	-176.9	-177	0	0	112.3	T243 K244 A250 K251	T243-E247 WeakPolarHBondContact O-CB 3.37Å; T243-E247 WeakPolarHBondContact O-CG 3.46Å; T243-E247 PolarHBondContact O-N 2.99Å; K244-E247 PolarHBondContact O-N 3.07Å; E247-A250 PolarHBondContact O-N 2.93Å; E247-K251 WeakPolarHBondContact O-CB 3.28Å; E247-K251 WeakPolarHBondContact O-CG 3.31Å; E247-K251 PolarHBondContact O-N 3.39Å
248	M	67.8	Low	61.2	Low	104 Å²	104	103.5 Å²	103.5	51%	0.512	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-40.3	175	-76.1	-168.9	-63.3	0	0	111	K244 M245 K251 L252	K244-M248 WeakPolarHBondContact O-CB 3.05Å; K244-M248 WeakPolarHBondContact O-CG 2.98Å; K244-M248 PolarHBondContact O-N 3.08Å; M245-M248 HydrophobicContact CG-CE 4.37Å; M248-K251 PolarHBondContact O-N 3.49Å; M248-L252 HydrophobicContact CB-CD1 4.48Å; M248-L252 VanDerWaalsContact O-CB 3.23Å; M248-L252 WeakPolarHBondContact O-CB 3.39Å; M248-L252 WeakPolarHBondContact O-CD1 3.41Å; M248-L252 VanDerWaalsContact O-CG 3.28Å; M248-L252 WeakPolarHBondContact O-CG 3.46Å; M248-L252 PolarHBondContact O-N 3.26Å
249	S	57.3	Low	61.6	Low	24 Å²	24	104 Å²	104	17%	0.168	52%	0.516	C	S	.	.	H	α-helix	trans	-67.8	-37	174.5	59.3	0	0	0	0	113.1	M245 I246 K251 L252 K253 R254 I256	M245-S249 WeakPolarHBondContact O-CB 3.39Å; M245-S249 PolarHBondContact O-N 3.49Å; M245-S249 PolarHBondContact O-OG 3.05Å; I246-S249 WeakPolarHBondContact CA-OG 3.4Å; I246-S249 PolarHBondContact O-N 3.36Å; I246-S249 PolarHBondContact O-OG 2.94Å; S249-K251 VanDerWaalsContact C-N 3.33Å; S249-K251 PolarHBondContact O-N 3.47Å; S249-L252 PolarHBondContact O-N 2.87Å; S249-K253 PolarHBondContact O-N 2.86Å; S249-R254 WeakPolarHBondContact CB-O 3.26Å; S249-R254 PolarHBondContact O-N 3.32Å; S249-I256 VanDerWaalsContact CB-CD1 3.46Å; S249-I256 WeakPolarHBondContact OG-CD1 3.49Å
250	A	62.7	Low	62	Low	75 Å²	75	105.3 Å²	105.3	62%	0.62	53%	0.533	S	S	*	.	H	α-helix	trans	-62.7	-39.1	171.9	0	0	0	0	0	111.8	I246 E247	I246-A250 WeakPolarHBondContact O-CB 3.49Å; I246-A250 PolarHBondContact O-N 3.21Å; E247-A250 PolarHBondContact O-N 2.93Å
251	K	72.7	Confident	61.9	Low	169 Å²	169	108.5 Å²	108.5	74%	0.735	54%	0.541	S	S	*	.	H	α-helix	trans	-70.4	-41.1	174.1	-73.9	177.4	-179.1	177.9	0	112.9	E247 M248 S249 K253	E247-K251 WeakPolarHBondContact O-CB 3.28Å; E247-K251 WeakPolarHBondContact O-CG 3.31Å; E247-K251 PolarHBondContact O-N 3.39Å; M248-K251 PolarHBondContact O-N 3.49Å; S249-K251 VanDerWaalsContact C-N 3.33Å; S249-K251 PolarHBondContact O-N 3.47Å; K251-K253 VanDerWaalsContact C-N 3.3Å; K251-K253 PolarHBondContact O-N 3.07Å
252	L	73	Confident	61.4	Low	119 Å²	119	105.7 Å²	105.7	62%	0.623	53%	0.527	S	S	*	.	H	α-helix	trans	-82.8	-2.7	-177.7	-71.7	163	0	0	0	113.5	M248 S249 R254	M248-L252 HydrophobicContact CB-CD1 4.48Å; M248-L252 VanDerWaalsContact O-CB 3.23Å; M248-L252 WeakPolarHBondContact O-CB 3.39Å; M248-L252 WeakPolarHBondContact O-CD1 3.41Å; M248-L252 VanDerWaalsContact O-CG 3.28Å; M248-L252 WeakPolarHBondContact O-CG 3.46Å; M248-L252 PolarHBondContact O-N 3.26Å; S249-L252 PolarHBondContact O-N 2.87Å; L252-R254 PolarHBondContact O-N 3.24Å
253	K	59.9	Low	61.6	Low	194 Å²	194	111.8 Å²	111.8	84%	0.843	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	25.9	-175.8	-65.4	-177.9	179.1	176.7	0	114.1	S249 K251	S249-K253 PolarHBondContact O-N 2.86Å; K251-K253 VanDerWaalsContact C-N 3.3Å; K251-K253 PolarHBondContact O-N 3.07Å
254	R	55.2	Low	61.3	Low	193 Å²	193	114.6 Å²	114.6	73%	0.728	56%	0.558	S	S	*	*			trans	-103.3	115.7	177.7	-72.9	-175.5	-177.8	-177.1	0.6	108.9	S249 L252 I256	S249-R254 WeakPolarHBondContact CB-O 3.26Å; S249-R254 PolarHBondContact O-N 3.32Å; L252-R254 PolarHBondContact O-N 3.24Å; R254-I256 PolarHBondContact O-N 2.87Å
255	P	50.3	Low	60.5	Low	124 Å²	124	114 Å²	114	81%	0.805	56%	0.559	S	S	*	*			trans	-66.7	116.6	178	27	-32.2	0	0	0	109.4	K257	P255-K257 PolarHBondContact O-N 3.13Å
256	I	57.7	Low	60	Low	86 Å²	86	111.6 Å²	111.6	44%	0.441	55%	0.547	S	S	.	.			trans	-72.4	119.6	169.7	-59.3	172.7	0	0	0	106.9	M245 S249 R254 I258	M245-I256 HydrophobicContact CB-CD1 4.42Å; S249-I256 VanDerWaalsContact CB-CD1 3.46Å; S249-I256 WeakPolarHBondContact OG-CD1 3.49Å; R254-I256 PolarHBondContact O-N 2.87Å; I256-I258 VanDerWaalsContact C-N 3.27Å; I256-I258 HydrophobicContact CB-CG1 4.22Å; I256-I258 HydrophobicContact CG2-CD1 4.5Å; I256-I258 HydrophobicContact CG2-CG1 3.64Å; I256-I258 PolarHBondContact O-N 3.48Å
257	K	56.8	Low	59.8	Low	203 Å²	203	111.6 Å²	111.6	88%	0.883	55%	0.545	S	S	*	.			trans	-73.6	87.5	167	-68.5	-175	-179.1	-178.8	0	108.1	P255 P259	P255-K257 PolarHBondContact O-N 3.13Å; K257-P259 WeakPolarHBondContact O-CD 3.31Å
258	I	56.9	Low	58.8	Low	64 Å²	64	109.9 Å²	109.9	33%	0.328	54%	0.543	S	S	.	.			trans	-79	122.6	169.9	-59.2	178.4	0	0	0	106.6	I256 A260 Y262	I256-I258 VanDerWaalsContact C-N 3.27Å; I256-I258 HydrophobicContact CB-CG1 4.22Å; I256-I258 HydrophobicContact CG2-CD1 4.5Å; I256-I258 HydrophobicContact CG2-CG1 3.64Å; I256-I258 PolarHBondContact O-N 3.48Å; I258-A260 PolarHBondContact O-N 3.45Å; I258-Y262 HydrophobicContact CG2-CD1 3.4Å; I258-Y262 VanDerWaalsContact CG2-CD1 3.4Å; I258-Y262 HydrophobicContact CG2-CE1 4.38Å; I258-Y262 HydrophobicContact CG2-CG 3.96Å
259	P	63.8	Low	57.9	Low	67 Å²	67	105.8 Å²	105.8	44%	0.435	53%	0.525	S	S	.	.			trans	-53.9	137.4	171	-25.7	35.3	0	0	0	110.5	K257 W261 Y262 Y263	K257-P259 WeakPolarHBondContact O-CD 3.31Å; P259-W261 HydrophobicContact CB-CG 4.15Å; P259-W261 PolarHBondContact O-N 3.13Å; P259-W261 VanDerWaalsContact O-N 3.08Å; P259-Y262 WeakPolarHBondContact O-CB 3.34Å; P259-Y262 PolarHBondContact O-N 3.49Å; P259-Y263 PolarHBondContact O-N 3.2Å
260	A	58.4	Low	57.7	Low	73 Å²	73	113.8 Å²	113.8	60%	0.603	55%	0.552	S	S	*	*	H	α-helix	trans	-51.8	-38.4	-176.6	0	0	0	0	0	112.7	I258 Y262 Y263 E264	I258-A260 PolarHBondContact O-N 3.45Å; A260-Y262 VanDerWaalsContact C-N 3.29Å; A260-Y262 PolarHBondContact O-N 3.29Å; A260-Y263 WeakPolarHBondContact O-CB 3.35Å; A260-Y263 PolarHBondContact O-N 3.43Å; A260-Y263 VanDerWaalsContact O-N 3.12Å; A260-E264 PolarHBondContact O-N 2.89Å
261	W	61.9	Low	57.2	Low	160 Å²	160	112.6 Å²	112.6	61%	0.606	54%	0.536	S	S	*	.	H	α-helix	trans	-59	-35	176.7	73.1	-100.3	0	0	0	113.5	P259 L265	P259-W261 HydrophobicContact CB-CG 4.15Å; P259-W261 PolarHBondContact O-N 3.13Å; P259-W261 VanDerWaalsContact O-N 3.08Å; W261-L265 HydrophobicContact CE3-CD1 4.31Å; W261-L265 HydrophobicContact CZ3-CD1 4.09Å; W261-L265 VanDerWaalsContact O-CB 3.23Å; W261-L265 WeakPolarHBondContact O-CB 3.49Å; W261-L265 PolarHBondContact O-N 3.4Å
262	Y	54.2	Low	56	Low	76 Å²	76	107 Å²	107	30%	0.298	51%	0.514	S	S	.	.	H	α-helix	trans	-74.5	-34.7	178.5	-176.3	-88.5	0	0	0	111.3	I258 P259 A260 L265 M266	I258-Y262 HydrophobicContact CG2-CD1 3.4Å; I258-Y262 VanDerWaalsContact CG2-CD1 3.4Å; I258-Y262 HydrophobicContact CG2-CE1 4.38Å; I258-Y262 HydrophobicContact CG2-CG 3.96Å; P259-Y262 WeakPolarHBondContact O-CB 3.34Å; P259-Y262 PolarHBondContact O-N 3.49Å; A260-Y262 VanDerWaalsContact C-N 3.29Å; A260-Y262 PolarHBondContact O-N 3.29Å; Y262-L265 PolarHBondContact O-N 2.89Å; Y262-M266 HydrophobicContact CD1-CG 4.05Å; Y262-M266 HydrophobicContact CE1-CE 3.84Å; Y262-M266 HydrophobicContact CE1-CG 3.71Å; Y262-M266 WeakPolarHBondContact O-CB 3.45Å; Y262-M266 WeakPolarHBondContact O-CG 3.39Å; Y262-M266 PolarHBondContact O-N 3.26Å; Y262-M266 WeakPolarHBondContact OH-CE 3.16Å
263	Y	60	Low	54.8	Low	138 Å²	138	102.5 Å²	102.5	54%	0.541	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-44.2	174.1	-177.2	-98.7	0	0	0	111.3	P259 A260 L265 M266 Q267	P259-Y263 PolarHBondContact O-N 3.2Å; A260-Y263 WeakPolarHBondContact O-CB 3.35Å; A260-Y263 PolarHBondContact O-N 3.43Å; A260-Y263 VanDerWaalsContact O-N 3.12Å; Y263-L265 VanDerWaalsContact C-N 3.35Å; Y263-M266 PolarHBondContact O-N 3.06Å; Y263-Q267 HydrophobicContact CD1-CG 4.35Å; Y263-Q267 VanDerWaalsContact CE1-CD 3.49Å; Y263-Q267 HydrophobicContact CE1-CG 4.03Å; Y263-Q267 WeakPolarHBondContact O-CG 3.37Å; Y263-Q267 PolarHBondContact O-N 2.82Å; Y263-Q267 PolarHBondContact OH-NE2 3.36Å
264	E	56.4	Low	54.5	Low	126 Å²	126	96.6 Å²	96.6	59%	0.589	48%	0.475	S	S	*	.	H	α-helix	trans	-62.7	-40.7	173.3	-70.3	-177.5	179.3	0	0	111.9	A260 Q267 T268	A260-E264 PolarHBondContact O-N 2.89Å; E264-Q267 PolarHBondContact O-N 3.5Å; E264-T268 WeakPolarHBondContact O-CB 3.32Å; E264-T268 WeakPolarHBondContact O-CG2 3.43Å; E264-T268 PolarHBondContact O-N 3.06Å; E264-T268 PolarHBondContact O-OG1 2.65Å
265	L	52.8	Low	54.3	Low	90 Å²	90	89.4 Å²	89.4	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-41	174.5	-164.7	153.6	0	0	0	111.8	W261 Y262 Y263 T268 A269	W261-L265 HydrophobicContact CE3-CD1 4.31Å; W261-L265 HydrophobicContact CZ3-CD1 4.09Å; W261-L265 VanDerWaalsContact O-CB 3.23Å; W261-L265 WeakPolarHBondContact O-CB 3.49Å; W261-L265 PolarHBondContact O-N 3.4Å; Y262-L265 PolarHBondContact O-N 2.89Å; Y263-L265 VanDerWaalsContact C-N 3.35Å; L265-T268 VanDerWaalsContact CA-OG1 3.27Å; L265-T268 WeakPolarHBondContact CA-OG1 3.14Å; L265-T268 PolarHBondContact O-OG1 3.42Å; L265-A269 WeakPolarHBondContact O-CB 3.43Å; L265-A269 PolarHBondContact O-N 3.49Å
266	M	51.1	Low	54.1	Low	48 Å²	48	85.9 Å²	85.9	24%	0.236	43%	0.427	C	S	.	.	H	α-helix	trans	-66.6	-39.1	175.1	-86.8	-77.9	177.3	0	0	112.5	L239 A242 Y262 Y263 R270	L239-M266 HydrophobicContact CD2-SD 4.08Å; A242-M266 HydrophobicContact CB-CE 3.63Å; Y262-M266 HydrophobicContact CD1-CG 4.05Å; Y262-M266 HydrophobicContact CE1-CE 3.84Å; Y262-M266 HydrophobicContact CE1-CG 3.71Å; Y262-M266 WeakPolarHBondContact O-CB 3.45Å; Y262-M266 WeakPolarHBondContact O-CG 3.39Å; Y262-M266 PolarHBondContact O-N 3.26Å; Y262-M266 WeakPolarHBondContact OH-CE 3.16Å; Y263-M266 PolarHBondContact O-N 3.06Å; M266-R270 VanDerWaalsContact O-CB 3.28Å; M266-R270 WeakPolarHBondContact O-CB 3.4Å; M266-R270 PolarHBondContact O-N 3.27Å
267	Q	56.1	Low	53.6	Low	96 Å²	96	88.2 Å²	88.2	45%	0.449	44%	0.438	S	S	.	.	H	α-helix	trans	-66.3	-46.9	175.8	-75.7	-165.1	-12.1	0	0	111.4	Y263 E264 R270 V271	Y263-Q267 HydrophobicContact CD1-CG 4.35Å; Y263-Q267 VanDerWaalsContact CE1-CD 3.49Å; Y263-Q267 HydrophobicContact CE1-CG 4.03Å; Y263-Q267 WeakPolarHBondContact O-CG 3.37Å; Y263-Q267 PolarHBondContact O-N 2.82Å; Y263-Q267 PolarHBondContact OH-NE2 3.36Å; E264-Q267 PolarHBondContact O-N 3.5Å; Q267-R270 PolarHBondContact O-N 2.97Å; Q267-V271 WeakPolarHBondContact O-CB 3.31Å; Q267-V271 VanDerWaalsContact O-CG2 3.29Å; Q267-V271 WeakPolarHBondContact O-CG2 3.19Å; Q267-V271 PolarHBondContact O-N 2.96Å
268	T	49	Very low	53.3	Low	79 Å²	79	82 Å²	82	49%	0.485	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-45.3	175.5	50.4	0	0	0	0	111.2	E264 L265 R270 V271 L272	E264-T268 WeakPolarHBondContact O-CB 3.32Å; E264-T268 WeakPolarHBondContact O-CG2 3.43Å; E264-T268 PolarHBondContact O-N 3.06Å; E264-T268 PolarHBondContact O-OG1 2.65Å; L265-T268 VanDerWaalsContact CA-OG1 3.27Å; L265-T268 WeakPolarHBondContact CA-OG1 3.14Å; L265-T268 PolarHBondContact O-OG1 3.42Å; T268-R270 PolarHBondContact O-N 3.47Å; T268-V271 PolarHBondContact O-N 3.19Å; T268-L272 WeakPolarHBondContact O-CB 3.16Å; T268-L272 WeakPolarHBondContact O-CG 3.18Å; T268-L272 PolarHBondContact O-N 3.33Å
269	A	50.3	Low	53	Low	17 Å²	17	82.1 Å²	82.1	14%	0.14	43%	0.426	C	S	.	.	H	α-helix	trans	-59.5	-44	174.8	0	0	0	0	0	112.5	F235 L265 V271 L272 V273	F235-A269 HydrophobicContact CE2-CB 4.48Å; F235-A269 HydrophobicContact CZ-CB 4.23Å; L265-A269 WeakPolarHBondContact O-CB 3.43Å; L265-A269 PolarHBondContact O-N 3.49Å; A269-V271 PolarHBondContact O-N 3.39Å; A269-L272 PolarHBondContact O-N 3.49Å; A269-V273 WeakPolarHBondContact O-CB 3.37Å; A269-V273 WeakPolarHBondContact O-CG2 3.37Å; A269-V273 PolarHBondContact O-N 3.23Å
270	R	52.5	Low	52.4	Low	193 Å²	193	84 Å²	84	73%	0.728	44%	0.441	S	S	*	.	H	α-helix	trans	-64	-40.5	177.3	-168.9	177.8	-172.7	148.4	2.4	112	M266 Q267 T268 S274	M266-R270 VanDerWaalsContact O-CB 3.28Å; M266-R270 WeakPolarHBondContact O-CB 3.4Å; M266-R270 PolarHBondContact O-N 3.27Å; Q267-R270 PolarHBondContact O-N 2.97Å; T268-R270 PolarHBondContact O-N 3.47Å; R270-S274 VanDerWaalsContact O-CB 3.28Å; R270-S274 WeakPolarHBondContact O-CB 3.34Å; R270-S274 PolarHBondContact O-N 3.1Å; R270-S274 PolarHBondContact O-OG 3.05Å
271	V	52.4	Low	52.1	Low	49 Å²	49	87.7 Å²	87.7	30%	0.297	45%	0.451	S	S	.	.	H	α-helix	trans	-63.3	-47.7	174.5	168.6	0	0	0	0	110.4	Q267 T268 A269 V273 S274 K275 P319	Q267-V271 WeakPolarHBondContact O-CB 3.31Å; Q267-V271 VanDerWaalsContact O-CG2 3.29Å; Q267-V271 WeakPolarHBondContact O-CG2 3.19Å; Q267-V271 PolarHBondContact O-N 2.96Å; T268-V271 PolarHBondContact O-N 3.19Å; A269-V271 PolarHBondContact O-N 3.39Å; V271-V273 VanDerWaalsContact C-N 3.32Å; V271-V273 PolarHBondContact O-N 3.23Å; V271-S274 WeakPolarHBondContact CA-OG 3.36Å; V271-S274 PolarHBondContact O-N 3.46Å; V271-S274 PolarHBondContact O-OG 3.19Å; V271-K275 HydrophobicContact CG1-CD 4.14Å; V271-K275 WeakPolarHBondContact O-CB 3.32Å; V271-K275 PolarHBondContact O-N 2.9Å; V271-P319 HydrophobicContact CG1-CB 3.86Å; V271-P319 HydrophobicContact CG1-CG 4.33Å; V271-P319 HydrophobicContact CG2-CB 4.45Å
272	L	46.5	Very low	51.7	Low	51 Å²	51	86 Å²	86	27%	0.267	44%	0.444	S	S	.	.	H	α-helix	trans	-56.9	-45.5	178.2	-72.4	166.8	0	0	0	111.6	T268 A269 K275 S276 I305 L306	T268-L272 WeakPolarHBondContact O-CB 3.16Å; T268-L272 WeakPolarHBondContact O-CG 3.18Å; T268-L272 PolarHBondContact O-N 3.33Å; A269-L272 PolarHBondContact O-N 3.49Å; L272-K275 PolarHBondContact O-N 3.5Å; L272-S276 VanDerWaalsContact O-CB 3.3Å; L272-S276 WeakPolarHBondContact O-CB 3.38Å; L272-S276 PolarHBondContact O-N 3.25Å; L272-I305 HydrophobicContact CD2-CG2 3.94Å; L272-L306 HydrophobicContact CD1-CD2 3.9Å; L272-L306 HydrophobicContact CD2-CD2 4.26Å; L272-L306 HydrophobicContact CD2-CG 4.28Å
273	V	49	Very low	52	Low	25 Å²	25	84.3 Å²	84.3	15%	0.152	44%	0.444	C	S	.	.	H	α-helix	trans	-68.7	-44.2	179	174.9	0	0	0	0	111.1	W232 F235 A269 V271 K275 S276 M277	W232-V273 HydrophobicContact CH2-CG1 4.22Å; W232-V273 HydrophobicContact CH2-CG2 4.27Å; W232-V273 HydrophobicContact CZ3-CB 4.43Å; W232-V273 HydrophobicContact CZ3-CG1 3.84Å; W232-V273 HydrophobicContact CZ3-CG2 4.01Å; F235-V273 HydrophobicContact CD1-CG2 4.19Å; F235-V273 HydrophobicContact CE1-CB 4.38Å; F235-V273 HydrophobicContact CE1-CG1 4.47Å; F235-V273 HydrophobicContact CE1-CG2 3.19Å; F235-V273 HydrophobicContact CZ-CG2 3.44Å; F235-V273 VanDerWaalsContact CZ-CG2 3.44Å; A269-V273 WeakPolarHBondContact O-CB 3.37Å; A269-V273 WeakPolarHBondContact O-CG2 3.37Å; A269-V273 PolarHBondContact O-N 3.23Å; V271-V273 VanDerWaalsContact C-N 3.32Å; V271-V273 PolarHBondContact O-N 3.23Å; V273-K275 VanDerWaalsContact C-N 3.28Å; V273-K275 PolarHBondContact O-N 2.86Å; V273-S276 PolarHBondContact O-N 2.92Å; V273-M277 HydrophobicContact CG1-SD 4.11Å; V273-M277 WeakPolarHBondContact O-CG 3.29Å; V273-M277 PolarHBondContact O-N 2.85Å
274	S	54.1	Low	52.5	Low	70 Å²	70	78.3 Å²	78.3	49%	0.49	42%	0.423	S	S	.	.	H	α-helix	trans	-64.3	-33.2	178.8	70.1	0	0	0	0	112.9	R270 V271 S278	R270-S274 VanDerWaalsContact O-CB 3.28Å; R270-S274 WeakPolarHBondContact O-CB 3.34Å; R270-S274 PolarHBondContact O-N 3.1Å; R270-S274 PolarHBondContact O-OG 3.05Å; V271-S274 WeakPolarHBondContact CA-OG 3.36Å; V271-S274 PolarHBondContact O-N 3.46Å; V271-S274 PolarHBondContact O-OG 3.19Å; S274-S278 WeakPolarHBondContact O-CB 3.24Å
275	K	50.2	Low	53.3	Low	43 Å²	43	76.1 Å²	76.1	19%	0.187	41%	0.412	C	S	.	.	H	α-helix	trans	-75.8	-42.8	175.9	-80.1	-176.6	170.8	-172.1	0	111.6	V271 L272 V273 M277 S278 S304 N320	V271-K275 HydrophobicContact CG1-CD 4.14Å; V271-K275 WeakPolarHBondContact O-CB 3.32Å; V271-K275 PolarHBondContact O-N 2.9Å; L272-K275 PolarHBondContact O-N 3.5Å; V273-K275 VanDerWaalsContact C-N 3.28Å; V273-K275 PolarHBondContact O-N 2.86Å; K275-M277 VanDerWaalsContact C-N 3.27Å; K275-M277 PolarHBondContact O-N 3.33Å; K275-S278 PolarHBondContact O-N 2.82Å; K275-S304 PolarHBondContact NZ-OG 3.08Å; K275-N320 PolarHBondContact NZ-OD1 3.34Å
276	S	46.3	Very low	54.5	Low	50 Å²	50	72.1 Å²	72.1	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-61.5	-32.4	176.9	167.6	0	0	0	0	113.1	L272 V273 S279	L272-S276 VanDerWaalsContact O-CB 3.3Å; L272-S276 WeakPolarHBondContact O-CB 3.38Å; L272-S276 PolarHBondContact O-N 3.25Å; V273-S276 PolarHBondContact O-N 2.92Å; S276-S279 PolarHBondContact O-OG 3.13Å
277	M	46.8	Very low	55.8	Low	134 Å²	134	73 Å²	73	66%	0.66	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.1	-179.3	-64.1	-173.9	98.5	0	0	114.4	V273 K275	V273-M277 HydrophobicContact CG1-SD 4.11Å; V273-M277 WeakPolarHBondContact O-CG 3.29Å; V273-M277 PolarHBondContact O-N 2.85Å; K275-M277 VanDerWaalsContact C-N 3.27Å; K275-M277 PolarHBondContact O-N 3.33Å
278	S	51.5	Low	56.9	Low	72 Å²	72	72 Å²	72	50%	0.503	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	7.9	-174.4	-174.7	0	0	0	0	113.9	S274 K275 S280	S274-S278 WeakPolarHBondContact O-CB 3.24Å; K275-S278 PolarHBondContact O-N 2.82Å; S278-S280 PolarHBondContact O-N 3.11Å
279	S	50	Low	58.4	Low	67 Å²	67	68.2 Å²	68.2	47%	0.469	37%	0.367	S	S	.	.			trans	-90.8	38.2	-164	66.1	0	0	0	0	115.1	S276 D281 D303	S276-S279 PolarHBondContact O-OG 3.13Å; S279-D281 PolarHBondContact O-N 3.39Å; S279-D303 WeakPolarHBondContact CB-OD2 3.47Å
280	S	51.6	Low	60	Low	106 Å²	106	69 Å²	69	74%	0.741	37%	0.37	S	S	*	.	S	Bend	trans	-76.6	-16	-174.1	64.3	0	0	0	0	115.2	S278	S278-S280 PolarHBondContact O-N 3.11Å
281	D	51.6	Low	61.4	Low	151 Å²	151	60.7 Å²	60.7	81%	0.807	34%	0.34	S	S	*	.	S	Bend	trans	-143.5	27.5	-168	-86.7	-42.3	0	0	0	116	S279	S279-D281 PolarHBondContact O-N 3.39Å
282	R	53.8	Low	62.8	Low	124 Å²	124	61.7 Å²	61.7	47%	0.468	34%	0.341	S	S	.	.			trans	-123.9	134.4	-169.5	-68.3	-179.7	-179.9	168	5.2	114.8	N300	R282-N300 WeakPolarHBondContact CD-O 2.98Å; R282-N300 PolarHBondContact NE-O 3.28Å; R282-N300 PolarHBondContact NH1-O 2.96Å; R282-N300 VanDerWaalsContact NH1-O 3.16Å
283	S	60.7	Low	64.2	Low	41 Å²	41	62.7 Å²	62.7	29%	0.287	34%	0.343	S	S	.	.	S	Bend	trans	-90.5	2.9	-160.7	62.3	0	0	0	0	114.5	R631 F632	S283-R631 CarbonylContact O-C 3.53Å; S283-R631 WeakPolarHBondContact O-CA 3.34Å; S283-R631 PolarHBondContact O-N 3.19Å; S283-F632 PolarHBondContact O-N 3.48Å
284	A	69.3	Low	65.5	Low	13 Å²	13	61.7 Å²	61.7	11%	0.107	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	139.2	-179.1	0	0	0	0	0	113.1	L302 D303 F632	A284-L302 HydrophobicContact CB-CD2 3.33Å; A284-L302 HydrophobicContact CB-CG 4.26Å; A284-D303 PolarHBondContact O-N 3.17Å; A284-F632 CarbonylContact C-O 3.48Å; A284-F632 WeakPolarHBondContact CA-O 3.23Å; A284-F632 HydrophobicContact CB-CB 3.83Å
285	F	74.1	Confident	66.4	Low	80 Å²	80	61 Å²	61	35%	0.351	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.3	-173.1	179.5	-106.6	0	0	0	111	F287 D303 I305 F632 A633 I634	F285-F287 HydrophobicContact CD1-CB 4.28Å; F285-F287 HydrophobicContact CE1-CB 3.47Å; F285-F287 VanDerWaalsContact CE1-CB 3.47Å; F285-F287 HydrophobicContact CE1-CD2 4.49Å; F285-F287 HydrophobicContact CE1-CG 4.2Å; F285-F287 HydrophobicContact CZ-CB 3.88Å; F285-F287 HydrophobicContact CZ-CD2 4.18Å; F285-F287 HydrophobicContact CZ-CG 4.34Å; F285-D303 CarbonylContact C-O 3.55Å; F285-D303 WeakPolarHBondContact CA-O 2.89Å; F285-I305 HydrophobicContact CE2-CB 4.32Å; F285-I305 HydrophobicContact CE2-CD1 3.46Å; F285-I305 VanDerWaalsContact CE2-CD1 3.46Å; F285-I305 HydrophobicContact CE2-CG1 3.76Å; F285-I305 HydrophobicContact CZ-CB 4.37Å; F285-I305 HydrophobicContact CZ-CD1 3.93Å; F285-I305 HydrophobicContact CZ-CG1 4.27Å; F285-F632 PolarHBondContact N-O 2.88Å; F285-A633 CarbonylContact O-C 3.57Å; F285-A633 WeakPolarHBondContact O-CA 3.38Å; F285-I634 PolarHBondContact O-N 2.75Å
286	R	77.4	Confident	67.2	Low	5 Å²	5	63.5 Å²	63.5	2%	0.019	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	118.7	-179.3	-175.6	172.1	81.2	173.7	-3.1	110	S289 E291 D298 D303 S304 I305 S307 D309 I634	R286-S289 WeakPolarHBondContact CD-OG 3.32Å; R286-S289 WeakPolarHBondContact CG-OG 3.46Å; R286-E291 VanDerWaalsContact NH1-CG 3.29Å; R286-E291 IonicContact NH1-OE1 3.23Å; R286-E291 PolarHBondContact NH1-OE1 2.92Å; R286-E291 IonicContact NH1-OE2 2.86Å; R286-E291 PolarHBondContact NH1-OE2 3.2Å; R286-D298 IonicContact CZ-OD2 3.04Å; R286-D298 IonicContact NH1-OD1 3.47Å; R286-D298 IonicContact NH1-OD2 2.67Å; R286-D298 IonicContact NH2-OD2 3.09Å; R286-D298 PolarHBondContact NH2-OD2 3.45Å; R286-D303 PolarHBondContact N-O 3.15Å; R286-S304 CarbonylContact O-C 3.56Å; R286-S304 WeakPolarHBondContact O-CA 3.26Å; R286-I305 PolarHBondContact O-N 2.73Å; R286-S307 PolarHBondContact NE-OG 3.44Å; R286-S307 PolarHBondContact NH2-O 3.23Å; R286-S307 PolarHBondContact O-OG 3.27Å; R286-D309 IonicContact CZ-OD1 3.33Å; R286-D309 IonicContact NH1-OD1 3.58Å; R286-D309 PolarHBondContact NH1-OD1 3.31Å; R286-D309 IonicContact NH2-OD1 2.8Å; R286-D309 PolarHBondContact NH2-OD1 3.2Å; R286-D309 IonicContact NH2-OD2 3.34Å; R286-I634 CarbonylContact C-O 3.57Å; R286-I634 WeakPolarHBondContact CA-O 3.45Å; R286-I634 HydrophobicContact CB-CB 4.32Å; R286-I634 HydrophobicContact CG-CB 4.06Å; R286-I634 HydrophobicContact CG-CD1 4.43Å; R286-I634 HydrophobicContact CG-CG2 4.16Å
287	F	78.6	Confident	68.3	Low	67 Å²	67	64.3 Å²	64.3	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.2	-174.6	-177.1	-108.3	0	0	0	112.5	F285 S289 I305 L306 I634 V635 M636	F285-F287 HydrophobicContact CD1-CB 4.28Å; F285-F287 HydrophobicContact CE1-CB 3.47Å; F285-F287 VanDerWaalsContact CE1-CB 3.47Å; F285-F287 HydrophobicContact CE1-CD2 4.49Å; F285-F287 HydrophobicContact CE1-CG 4.2Å; F285-F287 HydrophobicContact CZ-CB 3.88Å; F285-F287 HydrophobicContact CZ-CD2 4.18Å; F285-F287 HydrophobicContact CZ-CG 4.34Å; F287-S289 PolarHBondContact O-N 2.96Å; F287-I305 VanDerWaalsContact CA-O 3.3Å; F287-I305 WeakPolarHBondContact CA-O 3.31Å; F287-I305 HydrophobicContact CD2-CB 4.02Å; F287-I305 HydrophobicContact CD2-CG2 3.76Å; F287-I305 HydrophobicContact CE2-CG2 3.98Å; F287-L306 HydrophobicContact CE2-CD1 4.06Å; F287-I634 PolarHBondContact N-O 3.11Å; F287-V635 HydrophobicContact CB-CG2 4.44Å; F287-V635 HydrophobicContact CD1-CG1 4.18Å; F287-V635 CarbonylContact O-C 3.48Å; F287-V635 WeakPolarHBondContact O-CA 3.45Å; F287-M636 PolarHBondContact O-N 2.77Å
288	L	79	Confident	69.2	Low	75 Å²	75	59.4 Å²	59.4	39%	0.393	32%	0.317	S	S	.	.	S	Bend	trans	52.6	28.7	175.9	-74.3	174.2	0	0	0	115.1	P290 I305 L306 M636	L288-P290 WeakPolarHBondContact O-CD 3.44Å; L288-I305 PolarHBondContact N-O 2.72Å; L288-I305 VanDerWaalsContact N-O 3.11Å; L288-L306 WeakPolarHBondContact CA-O 3.49Å; L288-L306 HydrophobicContact CD2-CB 3.68Å; L288-L306 HydrophobicContact CD2-CD1 3.97Å; L288-L306 HydrophobicContact CD2-CG 4.46Å; L288-L306 HydrophobicContact CG-CB 4.16Å; L288-L306 HydrophobicContact CG-CD1 4.31Å; L288-M636 HydrophobicContact CB-CG 3.81Å; L288-M636 HydrophobicContact CD1-CG 4.31Å; L288-M636 WeakPolarHBondContact O-CA 3.2Å
289	S	81.8	Confident	69.8	Low	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.305	C	S	.	.			trans	-117.7	92.1	-176.4	58.6	0	0	0	0	110.6	R286 F287 S307 S637	R286-S289 WeakPolarHBondContact CD-OG 3.32Å; R286-S289 WeakPolarHBondContact CG-OG 3.46Å; F287-S289 PolarHBondContact O-N 2.96Å; S289-S307 WeakPolarHBondContact O-CB 3.25Å; S289-S637 WeakPolarHBondContact CB-O 3.37Å
290	P	83.4	Confident	70.4	Confident	32 Å²	32	61 Å²	61	21%	0.208	31%	0.312	C	S	.	.			trans	-72.8	147.6	-179.6	29.2	-34	0	0	0	111.8	L288 P308 F310 P638 A639	L288-P290 WeakPolarHBondContact O-CD 3.44Å; P290-P308 CarbonylContact C-O 3.45Å; P290-P308 WeakPolarHBondContact CA-O 3.36Å; P290-P308 HydrophobicContact CB-CG 4.19Å; P290-F310 HydrophobicContact CB-CD2 4.34Å; P290-F310 HydrophobicContact CB-CE2 4.16Å; P290-P638 HydrophobicContact CG-CB 4.11Å; P290-P638 CarbonylContact O-C 3.54Å; P290-P638 WeakPolarHBondContact O-CA 3.43Å; P290-A639 PolarHBondContact O-N 3.17Å
291	E	80.8	Confident	71	Confident	19 Å²	19	60 Å²	60	9%	0.089	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.8	174.7	-59.7	-160.3	169.1	0	0	111.7	R286 P308 D309 F310 R619 A639	R286-E291 VanDerWaalsContact NH1-CG 3.29Å; R286-E291 IonicContact NH1-OE1 3.23Å; R286-E291 PolarHBondContact NH1-OE1 2.92Å; R286-E291 IonicContact NH1-OE2 2.86Å; R286-E291 PolarHBondContact NH1-OE2 3.2Å; E291-P308 PolarHBondContact N-O 3.24Å; E291-D309 CarbonylContact O-C 3.52Å; E291-D309 WeakPolarHBondContact O-CA 3.43Å; E291-F310 PolarHBondContact O-N 3.03Å; E291-R619 IonicContact OE1-NH2 3.61Å; E291-R619 PolarHBondContact OE1-NH2 3.35Å; E291-R619 VanDerWaalsContact OE1-NH2 3.09Å; E291-A639 CarbonylContact C-O 3.59Å; E291-A639 WeakPolarHBondContact CA-O 3.2Å; E291-A639 HydrophobicContact CB-CB 4.45Å; E291-A639 HydrophobicContact CG-CB 3.9Å
292	F	82	Confident	71.7	Confident	71 Å²	71	54.4 Å²	54.4	31%	0.311	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.5	177.1	-64.7	-88.5	0	0	0	109.9	F310 A639 L640 L641	F292-F310 WeakPolarHBondContact CA-O 3.48Å; F292-F310 HydrophobicContact CD1-CB 3.68Å; F292-F310 HydrophobicContact CD1-CD2 4.28Å; F292-F310 HydrophobicContact CD1-CG 4.34Å; F292-F310 HydrophobicContact CE1-CB 3.83Å; F292-F310 AromaticContact CE1-CD2 3.72Å; F292-F310 HydrophobicContact CE1-CD2 3.72Å; F292-F310 AromaticContact CE1-CG 3.99Å; F292-F310 HydrophobicContact CE1-CG 3.99Å; F292-F310 AromaticContact CZ-CD2 3.95Å; F292-F310 HydrophobicContact CZ-CD2 3.95Å; F292-F310 HydrophobicContact CZ-CE2 4.49Å; F292-A639 PolarHBondContact N-O 3.47Å; F292-L640 HydrophobicContact CB-CG 4.17Å; F292-L641 PolarHBondContact O-N 3.09Å
293	F	77.1	Confident	72.4	Confident	71 Å²	71	49.5 Å²	49.5	31%	0.311	25%	0.252	S	S	.	.	S	Bend	trans	57.6	46.9	178.2	-52.8	-74.7	0	0	0	113.9	I295 F310 F311 L313 L325 L640 L641	F293-I295 PolarHBondContact O-N 3.39Å; F293-F310 PolarHBondContact N-O 3.24Å; F293-F311 WeakPolarHBondContact CA-O 3.22Å; F293-F311 HydrophobicContact CD1-CB 3.68Å; F293-F311 WeakPolarHBondContact CD1-O 3.27Å; F293-F311 HydrophobicContact CE1-CB 3.54Å; F293-F311 HydrophobicContact CE1-CG 4.17Å; F293-F311 HydrophobicContact CG-CB 4.44Å; F293-F311 HydrophobicContact CZ-CB 4.2Å; F293-F311 HydrophobicContact CZ-CG 4.48Å; F293-L313 HydrophobicContact CB-CD1 4.32Å; F293-L325 HydrophobicContact CD1-CD1 3.82Å; F293-L325 HydrophobicContact CE1-CD1 3.98Å; F293-L640 HydrophobicContact CD2-CD2 4.47Å; F293-L641 HydrophobicContact CB-CD2 3.53Å; F293-L641 HydrophobicContact CB-CG 3.98Å; F293-L641 HydrophobicContact CG-CD2 4.36Å
294	S	75.9	Confident	72.9	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.028	24%	0.239	C	C	.	.			trans	-60.6	131.1	174.1	60.6	0	0	0	0	110.9	S312 L313 H314	S294-S312 WeakPolarHBondContact OG-CB 3.36Å; S294-L313 PolarHBondContact O-N 3.35Å; S294-H314 PolarHBondContact OG-NE2 2.84Å
295	I	73.6	Confident	73	Confident	56 Å²	56	49 Å²	49	29%	0.287	24%	0.244	S	C	.	.	S	Bend	trans	-91.4	-28.6	-176.6	-58.3	168.8	0	0	0	111.5	F293 L313 R643	F293-I295 PolarHBondContact O-N 3.39Å; I295-L313 HydrophobicContact CG1-CD1 3.93Å; I295-R643 HydrophobicContact CD1-CB 4.15Å; I295-R643 HydrophobicContact CD1-CG 4.18Å
296	Y	67	Low	72.7	Confident	95 Å²	95	49.4 Å²	49.4	37%	0.373	25%	0.249	S	C	.	.	S	Bend	trans	-131.6	147.8	-178.7	-70	-83.4	0	0	0	111.7	H314 R643	Y296-H314 PolarHBondContact O-CD2 3.45Å; Y296-H314 PolarHBondContact O-NE2 2.87Å; Y296-R643 HydrophobicContact CD2-CG 3.86Å; Y296-R643 HydrophobicContact CE2-CG 3.56Å
297	P	68.4	Low	72.7	Confident	68 Å²	68	49.3 Å²	49.3	44%	0.442	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-62.6	150.3	177.3	24.7	-33.5	0	0	0	111.9	H314 E318	P297-H314 VanDerWaalsContact N-CD2 3.27Å; P297-E318 VanDerWaalsContact CB-OE1 3.24Å; P297-E318 WeakPolarHBondContact CB-OE1 3.27Å
298	D	65.9	Low	72.7	Confident	30 Å²	30	47.7 Å²	47.7	16%	0.16	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-59.7	152.1	174.9	-80.1	-28	0	0	0	110.9	R286 E318	R286-D298 IonicContact CZ-OD2 3.04Å; R286-D298 IonicContact NH1-OD1 3.47Å; R286-D298 IonicContact NH1-OD2 2.67Å; R286-D298 IonicContact NH2-OD2 3.09Å; R286-D298 PolarHBondContact NH2-OD2 3.45Å; D298-E318 WeakPolarHBondContact CB-OE2 3.48Å; D298-E318 VanDerWaalsContact N-CD 3.32Å; D298-E318 PolarHBondContact N-OE1 3.15Å; D298-E318 PolarHBondContact N-OE2 3.43Å
299	Q	64.2	Low	72.6	Confident	57 Å²	57	44.2 Å²	44.2	27%	0.266	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-79.6	143.7	175.2	-69.8	-179.6	-22	0	0	109.9	N301 L302	Q299-N301 PolarHBondContact O-N 3.13Å; Q299-L302 HydrophobicContact CB-CD1 4.27Å; Q299-L302 PolarHBondContact O-N 2.99Å
300	N	61.6	Low	72.5	Confident	115 Å²	115	47.2 Å²	47.2	62%	0.615	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-11.8	177	-59.6	11	0	0	0	115.9	R282	R282-N300 WeakPolarHBondContact CD-O 2.98Å; R282-N300 PolarHBondContact NE-O 3.28Å; R282-N300 PolarHBondContact NH1-O 2.96Å; R282-N300 VanDerWaalsContact NH1-O 3.16Å
301	N	64.2	Low	72.1	Confident	85 Å²	85	49.4 Å²	49.4	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	9.3	-178.7	-65.3	8.6	0	0	0	113.5	Q299	Q299-N301 PolarHBondContact O-N 3.13Å
302	L	66.9	Low	72	Confident	34 Å²	34	48.5 Å²	48.5	18%	0.178	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.9	177.5	-76.8	161.2	0	0	0	110.1	A284 Q299	A284-L302 HydrophobicContact CB-CD2 3.33Å; A284-L302 HydrophobicContact CB-CG 4.26Å; Q299-L302 HydrophobicContact CB-CD1 4.27Å; Q299-L302 PolarHBondContact O-N 2.99Å
303	D	69.2	Low	71.7	Confident	22 Å²	22	49.1 Å²	49.1	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.6	174.7	-70.7	-21.3	0	0	0	109.8	S279 A284 F285 R286	S279-D303 WeakPolarHBondContact CB-OD2 3.47Å; A284-D303 PolarHBondContact O-N 3.17Å; F285-D303 CarbonylContact C-O 3.55Å; F285-D303 WeakPolarHBondContact CA-O 2.89Å; R286-D303 PolarHBondContact N-O 3.15Å
304	S	71.4	Confident	71.6	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.1	-176.8	59.4	0	0	0	0	111	K275 R286 S307 N320	K275-S304 PolarHBondContact NZ-OG 3.08Å; R286-S304 CarbonylContact O-C 3.56Å; R286-S304 WeakPolarHBondContact O-CA 3.26Å; S304-S307 WeakPolarHBondContact CA-OG 3.33Å; S304-S307 WeakPolarHBondContact CB-OG 3.13Å; S304-N320 VanDerWaalsContact CB-ND2 3.31Å; S304-N320 WeakPolarHBondContact CB-ND2 2.91Å; S304-N320 PolarHBondContact OG-ND2 2.95Å; S304-N320 PolarHBondContact OG-OD1 3.24Å
305	I	69.8	Low	71.4	Confident	39 Å²	39	49 Å²	49	20%	0.2	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125	175.8	-60.5	-167.2	0	0	0	108	L272 F285 R286 F287 L288 S307	L272-I305 HydrophobicContact CD2-CG2 3.94Å; F285-I305 HydrophobicContact CE2-CB 4.32Å; F285-I305 HydrophobicContact CE2-CD1 3.46Å; F285-I305 VanDerWaalsContact CE2-CD1 3.46Å; F285-I305 HydrophobicContact CE2-CG1 3.76Å; F285-I305 HydrophobicContact CZ-CB 4.37Å; F285-I305 HydrophobicContact CZ-CD1 3.93Å; F285-I305 HydrophobicContact CZ-CG1 4.27Å; R286-I305 PolarHBondContact O-N 2.73Å; F287-I305 VanDerWaalsContact CA-O 3.3Å; F287-I305 WeakPolarHBondContact CA-O 3.31Å; F287-I305 HydrophobicContact CD2-CB 4.02Å; F287-I305 HydrophobicContact CD2-CG2 3.76Å; F287-I305 HydrophobicContact CE2-CG2 3.98Å; L288-I305 PolarHBondContact N-O 2.72Å; L288-I305 VanDerWaalsContact N-O 3.11Å; I305-S307 PolarHBondContact N-OG 3.06Å; I305-S307 PolarHBondContact O-N 3.01Å; I305-S307 PolarHBondContact O-OG 3.32Å
306	L	68.3	Low	71.1	Confident	90 Å²	90	47.1 Å²	47.1	47%	0.471	25%	0.245	S	C	.	.	S	Bend	trans	52.7	30.4	178	-58.3	169.5	0	0	0	114.6	L272 F287 L288 P308	L272-L306 HydrophobicContact CD1-CD2 3.9Å; L272-L306 HydrophobicContact CD2-CD2 4.26Å; L272-L306 HydrophobicContact CD2-CG 4.28Å; F287-L306 HydrophobicContact CE2-CD1 4.06Å; L288-L306 WeakPolarHBondContact CA-O 3.49Å; L288-L306 HydrophobicContact CD2-CB 3.68Å; L288-L306 HydrophobicContact CD2-CD1 3.97Å; L288-L306 HydrophobicContact CD2-CG 4.46Å; L288-L306 HydrophobicContact CG-CB 4.16Å; L288-L306 HydrophobicContact CG-CD1 4.31Å; L306-P308 WeakPolarHBondContact O-CD 3.37Å
307	S	76.6	Confident	71	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.021	26%	0.263	C	S	.	.			trans	-119.9	84	-178.1	30.7	0	0	0	0	109.9	R286 S289 S304 I305	R286-S307 PolarHBondContact NE-OG 3.44Å; R286-S307 PolarHBondContact NH2-O 3.23Å; R286-S307 PolarHBondContact O-OG 3.27Å; S289-S307 WeakPolarHBondContact O-CB 3.25Å; S304-S307 WeakPolarHBondContact CA-OG 3.33Å; S304-S307 WeakPolarHBondContact CB-OG 3.13Å; I305-S307 PolarHBondContact N-OG 3.06Å; I305-S307 PolarHBondContact O-N 3.01Å; I305-S307 PolarHBondContact O-OG 3.32Å
308	P	79.3	Confident	71	Confident	33 Å²	33	48 Å²	48	21%	0.214	25%	0.251	C	S	.	.			trans	-78.5	148.3	-179.4	30.8	-34.3	0	0	0	112.7	P290 E291 L306 F310 N320 I322	P290-P308 CarbonylContact C-O 3.45Å; P290-P308 WeakPolarHBondContact CA-O 3.36Å; P290-P308 HydrophobicContact CB-CG 4.19Å; E291-P308 PolarHBondContact N-O 3.24Å; L306-P308 WeakPolarHBondContact O-CD 3.37Å; P308-F310 HydrophobicContact CB-CE2 4.19Å; P308-F310 HydrophobicContact CB-CZ 4.29Å; P308-F310 HydrophobicContact CG-CD2 4.48Å; P308-F310 HydrophobicContact CG-CE2 3.66Å; P308-F310 HydrophobicContact CG-CZ 3.94Å; P308-N320 WeakPolarHBondContact CA-O 3.49Å; P308-I322 HydrophobicContact CB-CD1 3.35Å; P308-I322 HydrophobicContact CB-CG1 3.91Å; P308-I322 HydrophobicContact CG-CD1 4.25Å
309	D	77.9	Confident	70.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.7	172.2	-50.1	-32.6	0	0	0	109.5	R286 E291 N320 I322	R286-D309 IonicContact CZ-OD1 3.33Å; R286-D309 IonicContact NH1-OD1 3.58Å; R286-D309 PolarHBondContact NH1-OD1 3.31Å; R286-D309 IonicContact NH2-OD1 2.8Å; R286-D309 PolarHBondContact NH2-OD1 3.2Å; R286-D309 IonicContact NH2-OD2 3.34Å; E291-D309 CarbonylContact O-C 3.52Å; E291-D309 WeakPolarHBondContact O-CA 3.43Å; D309-N320 PolarHBondContact N-O 3.11Å; D309-I322 PolarHBondContact O-N 3.43Å
310	F	79.5	Confident	71.2	Confident	64 Å²	64	48.7 Å²	48.7	28%	0.281	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.4	179.5	-66.2	-76.1	0	0	0	111.1	P290 E291 F292 F293 P308 S312 I322	P290-F310 HydrophobicContact CB-CD2 4.34Å; P290-F310 HydrophobicContact CB-CE2 4.16Å; E291-F310 PolarHBondContact O-N 3.03Å; F292-F310 WeakPolarHBondContact CA-O 3.48Å; F292-F310 HydrophobicContact CD1-CB 3.68Å; F292-F310 HydrophobicContact CD1-CD2 4.28Å; F292-F310 HydrophobicContact CD1-CG 4.34Å; F292-F310 HydrophobicContact CE1-CB 3.83Å; F292-F310 AromaticContact CE1-CD2 3.72Å; F292-F310 HydrophobicContact CE1-CD2 3.72Å; F292-F310 AromaticContact CE1-CG 3.99Å; F292-F310 HydrophobicContact CE1-CG 3.99Å; F292-F310 AromaticContact CZ-CD2 3.95Å; F292-F310 HydrophobicContact CZ-CD2 3.95Å; F292-F310 HydrophobicContact CZ-CE2 4.49Å; F293-F310 PolarHBondContact N-O 3.24Å; P308-F310 HydrophobicContact CB-CE2 4.19Å; P308-F310 HydrophobicContact CB-CZ 4.29Å; P308-F310 HydrophobicContact CG-CD2 4.48Å; P308-F310 HydrophobicContact CG-CE2 3.66Å; P308-F310 HydrophobicContact CG-CZ 3.94Å; F310-S312 VanDerWaalsContact C-N 3.29Å; F310-S312 PolarHBondContact O-N 2.73Å; F310-I322 HydrophobicContact CD1-CD1 4.42Å; F310-I322 HydrophobicContact CE1-CD1 3.75Å; F310-I322 HydrophobicContact CZ-CD1 4.01Å
311	F	75.5	Confident	71.7	Confident	78 Å²	78	44.1 Å²	44.1	34%	0.342	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.1	38.9	176.5	-55.5	-73.4	0	0	0	114.1	F293 L313 L323 L325 L328	F293-F311 WeakPolarHBondContact CA-O 3.22Å; F293-F311 HydrophobicContact CD1-CB 3.68Å; F293-F311 WeakPolarHBondContact CD1-O 3.27Å; F293-F311 HydrophobicContact CE1-CB 3.54Å; F293-F311 HydrophobicContact CE1-CG 4.17Å; F293-F311 HydrophobicContact CG-CB 4.44Å; F293-F311 HydrophobicContact CZ-CB 4.2Å; F293-F311 HydrophobicContact CZ-CG 4.48Å; F311-L313 PolarHBondContact O-N 3.07Å; F311-L323 CarbonylContact C-O 3.48Å; F311-L323 WeakPolarHBondContact CA-O 3.3Å; F311-L323 HydrophobicContact CD1-CD2 3.63Å; F311-L323 HydrophobicContact CE1-CD2 3.27Å; F311-L323 HydrophobicContact CZ-CD2 3.91Å; F311-L323 PolarHBondContact N-O 3Å; F311-L325 HydrophobicContact CB-CD1 4.24Å; F311-L325 HydrophobicContact CB-CD2 4.41Å; F311-L325 HydrophobicContact CB-CG 4.07Å; F311-L325 HydrophobicContact CD1-CD2 4.06Å; F311-L325 WeakPolarHBondContact O-CD1 3.43Å; F311-L328 HydrophobicContact CD1-CD1 4.35Å; F311-L328 HydrophobicContact CE1-CD1 4.49Å
312	S	76.9	Confident	72	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	138.5	-179.4	64.6	0	0	0	0	111.4	S294 F310 H314 N321 L323 S324 L325 P326	S294-S312 WeakPolarHBondContact OG-CB 3.36Å; F310-S312 VanDerWaalsContact C-N 3.29Å; F310-S312 PolarHBondContact O-N 2.73Å; S312-H314 PolarHBondContact O-N 3.38Å; S312-H314 PolarHBondContact OG-O 3.31Å; S312-N321 WeakPolarHBondContact CB-OD1 3.41Å; S312-N321 PolarHBondContact OG-ND2 2.89Å; S312-N321 PolarHBondContact OG-OD1 3.47Å; S312-L323 PolarHBondContact N-O 2.66Å; S312-S324 CarbonylContact O-C 3.57Å; S312-S324 WeakPolarHBondContact O-CA 3.4Å; S312-S324 VanDerWaalsContact OG-CA 3.26Å; S312-S324 WeakPolarHBondContact OG-CA 3.04Å; S312-S324 VanDerWaalsContact OG-CB 3.24Å; S312-S324 WeakPolarHBondContact OG-CB 3.28Å; S312-L325 PolarHBondContact O-N 2.67Å; S312-P326 WeakPolarHBondContact O-CD 3.4Å
313	L	76.1	Confident	72.2	Confident	83 Å²	83	46.2 Å²	46.2	44%	0.435	25%	0.246	S	C	.	.	S	Bend	trans	-83.7	4	178.7	-69.8	162.4	0	0	0	112.1	F293 S294 I295 F311 L325 L641	F293-L313 HydrophobicContact CB-CD1 4.32Å; S294-L313 PolarHBondContact O-N 3.35Å; I295-L313 HydrophobicContact CG1-CD1 3.93Å; F311-L313 PolarHBondContact O-N 3.07Å; L313-L325 HydrophobicContact CD2-CD1 3.45Å; L313-L325 VanDerWaalsContact CD2-CD1 3.45Å; L313-L325 HydrophobicContact CG-CD1 4.1Å; L313-L641 HydrophobicContact CD1-CD2 4.24Å
314	H	74.6	Confident	72.5	Confident	20 Å²	20	45.4 Å²	45.4	9%	0.093	24%	0.243	C	C	.	.	S	Bend	trans	-120.1	153.9	179.6	63.9	44.1	0	0	0	112.3	S294 Y296 P297 S312 G316 S324	S294-H314 PolarHBondContact OG-NE2 2.84Å; Y296-H314 PolarHBondContact O-CD2 3.45Å; Y296-H314 PolarHBondContact O-NE2 2.87Å; P297-H314 VanDerWaalsContact N-CD2 3.27Å; S312-H314 PolarHBondContact O-N 3.38Å; S312-H314 PolarHBondContact OG-O 3.31Å; H314-G316 VanDerWaalsContact C-N 3.3Å; H314-G316 PolarHBondContact ND1-N 3.45Å; H314-G316 PolarHBondContact O-N 3.44Å; H314-S324 WeakPolarHBondContact O-CB 3.3Å
315	D	72.1	Confident	72.6	Confident	53 Å²	53	46.3 Å²	46.3	28%	0.283	25%	0.247	S	C	.	.			trans	-91.8	38.3	175.8	-77.9	-24.9	0	0	0	113.3	P326 R327 R330	D315-P326 WeakPolarHBondContact OD1-CB 3.42Å; D315-P326 WeakPolarHBondContact OD1-CG 3.21Å; D315-R327 PolarHBondContact O-NH2 3.28Å; D315-R327 PolarHBondContact OD1-N 3.4Å; D315-R330 IonicContact OD2-CZ 2.64Å; D315-R330 IonicContact OD2-NH1 3.77Å; D315-R330 PolarHBondContact OD2-NH1 3.19Å; D315-R330 IonicContact OD2-NH2 2.72Å; D315-R330 PolarHBondContact OD2-NH2 3.06Å
316	G	66.9	Low	72.8	Confident	16 Å²	16	46 Å²	46	17%	0.165	25%	0.248	C	C	.	.			trans	-69.7	130.4	176.9	0	0	0	0	0	112.9	H314 E318 N321 R327	H314-G316 VanDerWaalsContact C-N 3.3Å; H314-G316 PolarHBondContact ND1-N 3.45Å; H314-G316 PolarHBondContact O-N 3.44Å; G316-E318 PolarHBondContact O-N 3.17Å; G316-N321 PolarHBondContact O-ND2 3.02Å; G316-R327 PolarHBondContact O-NH2 3.48Å
317	D	65.4	Low	73.1	Confident	143 Å²	143	45.4 Å²	45.4	77%	0.765	24%	0.239	S	C	*	.			trans	-75.2	31.4	172.9	-72.9	-42.1	0	0	0	113.4	R327	D317-R327 IonicContact OD1-CZ 3.41Å; D317-R327 IonicContact OD1-NH1 3.5Å; D317-R327 IonicContact OD1-NH2 2.74Å; D317-R327 PolarHBondContact OD1-NH2 3.32Å
318	E	67.9	Low	72.9	Confident	39 Å²	39	47.6 Å²	47.6	18%	0.182	25%	0.251	C	S	.	.			trans	-77.4	138.7	-177.5	-68.5	-176.7	169.6	0	0	110.8	P297 D298 G316 N320 N321	P297-E318 VanDerWaalsContact CB-OE1 3.24Å; P297-E318 WeakPolarHBondContact CB-OE1 3.27Å; D298-E318 WeakPolarHBondContact CB-OE2 3.48Å; D298-E318 VanDerWaalsContact N-CD 3.32Å; D298-E318 PolarHBondContact N-OE1 3.15Å; D298-E318 PolarHBondContact N-OE2 3.43Å; G316-E318 PolarHBondContact O-N 3.17Å; E318-N320 PolarHBondContact O-N 3.43Å; E318-N321 WeakPolarHBondContact O-CB 3.37Å; E318-N321 PolarHBondContact O-N 3.32Å
319	P	65.5	Low	72.6	Confident	83 Å²	83	48.2 Å²	48.2	54%	0.539	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.9	-174.4	28.1	-37.4	0	0	0	114	V271	V271-P319 HydrophobicContact CG1-CB 3.86Å; V271-P319 HydrophobicContact CG1-CG 4.33Å; V271-P319 HydrophobicContact CG2-CB 4.45Å
320	N	68.7	Low	72.3	Confident	19 Å²	19	56.9 Å²	56.9	10%	0.102	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.4	175.8	-45.6	-34.4	0	0	0	112.5	K275 S304 P308 D309 E318 I322	K275-N320 PolarHBondContact NZ-OD1 3.34Å; S304-N320 VanDerWaalsContact CB-ND2 3.31Å; S304-N320 WeakPolarHBondContact CB-ND2 2.91Å; S304-N320 PolarHBondContact OG-ND2 2.95Å; S304-N320 PolarHBondContact OG-OD1 3.24Å; P308-N320 WeakPolarHBondContact CA-O 3.49Å; D309-N320 PolarHBondContact N-O 3.11Å; E318-N320 PolarHBondContact O-N 3.43Å; N320-I322 PolarHBondContact O-N 3.41Å
321	N	73.7	Confident	72	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.102	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	98.1	-174.6	-170.6	11.6	0	0	0	109.7	S312 G316 E318	S312-N321 WeakPolarHBondContact CB-OD1 3.41Å; S312-N321 PolarHBondContact OG-ND2 2.89Å; S312-N321 PolarHBondContact OG-OD1 3.47Å; G316-N321 PolarHBondContact O-ND2 3.02Å; E318-N321 WeakPolarHBondContact O-CB 3.37Å; E318-N321 PolarHBondContact O-N 3.32Å
322	I	69.9	Low	71.8	Confident	104 Å²	104	62.2 Å²	62.2	53%	0.533	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-45.6	-176.7	-61.2	-177.2	0	0	0	110.4	P308 D309 F310 N320	P308-I322 HydrophobicContact CB-CD1 3.35Å; P308-I322 HydrophobicContact CB-CG1 3.91Å; P308-I322 HydrophobicContact CG-CD1 4.25Å; D309-I322 PolarHBondContact O-N 3.43Å; F310-I322 HydrophobicContact CD1-CD1 4.42Å; F310-I322 HydrophobicContact CE1-CD1 3.75Å; F310-I322 HydrophobicContact CZ-CD1 4.01Å; N320-I322 PolarHBondContact O-N 3.41Å
323	L	71.4	Confident	71.6	Confident	58 Å²	58	64.9 Å²	64.9	30%	0.304	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	83	-163.4	-150.2	95.5	0	0	0	110.9	F311 S312 L328	F311-L323 CarbonylContact C-O 3.48Å; F311-L323 WeakPolarHBondContact CA-O 3.3Å; F311-L323 HydrophobicContact CD1-CD2 3.63Å; F311-L323 HydrophobicContact CE1-CD2 3.27Å; F311-L323 HydrophobicContact CZ-CD2 3.91Å; F311-L323 PolarHBondContact N-O 3Å; S312-L323 PolarHBondContact N-O 2.66Å; L323-L328 HydrophobicContact CD1-CD2 4.02Å; L323-L328 HydrophobicContact CD2-CD1 3.34Å; L323-L328 HydrophobicContact CD2-CD2 4.24Å; L323-L328 HydrophobicContact CD2-CG 4.26Å; L323-L328 HydrophobicContact CG-CD1 3.6Å; L323-L328 HydrophobicContact CG-CD2 3.9Å; L323-L328 HydrophobicContact CG-CG 4.03Å
324	S	75.2	Confident	71.5	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.7	176.8	57.9	0	0	0	0	111.4	S312 H314 P326 R327 L328	S312-S324 CarbonylContact O-C 3.57Å; S312-S324 WeakPolarHBondContact O-CA 3.4Å; S312-S324 VanDerWaalsContact OG-CA 3.26Å; S312-S324 WeakPolarHBondContact OG-CA 3.04Å; S312-S324 VanDerWaalsContact OG-CB 3.24Å; S312-S324 WeakPolarHBondContact OG-CB 3.28Å; H314-S324 WeakPolarHBondContact O-CB 3.3Å; S324-P326 VanDerWaalsContact C-CD 3.47Å; S324-R327 PolarHBondContact O-N 3.15Å; S324-R327 VanDerWaalsContact O-N 3.11Å; S324-R327 WeakPolarHBondContact OG-CB 3.26Å; S324-R327 WeakPolarHBondContact OG-CD 3.27Å; S324-R327 WeakPolarHBondContact OG-CG 3.43Å; S324-L328 WeakPolarHBondContact O-CG 3.18Å; S324-L328 PolarHBondContact O-N 2.99Å
325	L	74.1	Confident	71.5	Confident	21 Å²	21	67.2 Å²	67.2	11%	0.11	36%	0.358	C	S	.	.	H	α-helix	trans	-53.5	-43.8	177.5	-76.7	167.5	0	0	0	113.2	F293 F311 S312 L313 R327 L328 L329	F293-L325 HydrophobicContact CD1-CD1 3.82Å; F293-L325 HydrophobicContact CE1-CD1 3.98Å; F311-L325 HydrophobicContact CB-CD1 4.24Å; F311-L325 HydrophobicContact CB-CD2 4.41Å; F311-L325 HydrophobicContact CB-CG 4.07Å; F311-L325 HydrophobicContact CD1-CD2 4.06Å; F311-L325 WeakPolarHBondContact O-CD1 3.43Å; S312-L325 PolarHBondContact O-N 2.67Å; L313-L325 HydrophobicContact CD2-CD1 3.45Å; L313-L325 VanDerWaalsContact CD2-CD1 3.45Å; L313-L325 HydrophobicContact CG-CD1 4.1Å; L325-R327 VanDerWaalsContact C-N 3.34Å; L325-R327 PolarHBondContact O-N 2.85Å; L325-L328 HydrophobicContact CD2-CD1 4.42Å; L325-L328 PolarHBondContact O-N 3.14Å; L325-L329 WeakPolarHBondContact O-CB 3.46Å; L325-L329 VanDerWaalsContact O-CG 3.32Å; L325-L329 WeakPolarHBondContact O-CG 3.44Å; L325-L329 PolarHBondContact O-N 3.49Å
326	P	73.4	Confident	71.7	Confident	33 Å²	33	68.7 Å²	68.7	21%	0.214	37%	0.366	C	S	.	.	H	α-helix	trans	-69.7	-29.5	179.6	-4.6	17.2	0	0	0	112.8	S312 D315 S324 R330	S312-P326 WeakPolarHBondContact O-CD 3.4Å; D315-P326 WeakPolarHBondContact OD1-CB 3.42Å; D315-P326 WeakPolarHBondContact OD1-CG 3.21Å; S324-P326 VanDerWaalsContact C-CD 3.47Å; P326-R330 WeakPolarHBondContact O-CB 3.43Å; P326-R330 VanDerWaalsContact O-CG 3.24Å; P326-R330 WeakPolarHBondContact O-CG 3.37Å; P326-R330 PolarHBondContact O-N 3.41Å
327	R	75.1	Confident	71.9	Confident	78 Å²	78	68.8 Å²	68.8	29%	0.294	37%	0.366	S	S	.	.	H	α-helix	trans	-69.4	-40.6	169.2	-62.6	178.6	-164.3	179.6	-5.7	112.1	D315 G316 D317 S324 L325 R330 H331	D315-R327 PolarHBondContact O-NH2 3.28Å; D315-R327 PolarHBondContact OD1-N 3.4Å; G316-R327 PolarHBondContact O-NH2 3.48Å; D317-R327 IonicContact OD1-CZ 3.41Å; D317-R327 IonicContact OD1-NH1 3.5Å; D317-R327 IonicContact OD1-NH2 2.74Å; D317-R327 PolarHBondContact OD1-NH2 3.32Å; S324-R327 PolarHBondContact O-N 3.15Å; S324-R327 VanDerWaalsContact O-N 3.11Å; S324-R327 WeakPolarHBondContact OG-CB 3.26Å; S324-R327 WeakPolarHBondContact OG-CD 3.27Å; S324-R327 WeakPolarHBondContact OG-CG 3.43Å; L325-R327 VanDerWaalsContact C-N 3.34Å; L325-R327 PolarHBondContact O-N 2.85Å; R327-R330 PolarHBondContact O-N 3.36Å; R327-H331 PolarHBondContact O-N 3.45Å; R327-H331 PolarHBondContact O-ND1 2.8Å
328	L	72.7	Confident	72.3	Confident	49 Å²	49	68.7 Å²	68.7	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-49.2	175.9	-67.6	171.6	0	0	0	110.9	F311 L323 S324 L325 R330 H331 F332	F311-L328 HydrophobicContact CD1-CD1 4.35Å; F311-L328 HydrophobicContact CE1-CD1 4.49Å; L323-L328 HydrophobicContact CD1-CD2 4.02Å; L323-L328 HydrophobicContact CD2-CD1 3.34Å; L323-L328 HydrophobicContact CD2-CD2 4.24Å; L323-L328 HydrophobicContact CD2-CG 4.26Å; L323-L328 HydrophobicContact CG-CD1 3.6Å; L323-L328 HydrophobicContact CG-CD2 3.9Å; L323-L328 HydrophobicContact CG-CG 4.03Å; S324-L328 WeakPolarHBondContact O-CG 3.18Å; S324-L328 PolarHBondContact O-N 2.99Å; L325-L328 HydrophobicContact CD2-CD1 4.42Å; L325-L328 PolarHBondContact O-N 3.14Å; L328-R330 PolarHBondContact O-N 2.94Å; L328-H331 PolarHBondContact O-N 3.19Å; L328-F332 HydrophobicContact CB-CE2 4.17Å; L328-F332 WeakPolarHBondContact O-CD2 3.29Å; L328-F332 PolarHBondContact O-N 3.08Å; L328-F332 VanDerWaalsContact O-N 3.16Å
329	L	71.4	Confident	72.5	Confident	46 Å²	46	69.5 Å²	69.5	24%	0.241	37%	0.374	C	S	.	.	H	α-helix	trans	-60.8	-31.5	177.7	-70.8	171.1	0	0	0	112.6	L325 A337 L340 M341	L325-L329 WeakPolarHBondContact O-CB 3.46Å; L325-L329 VanDerWaalsContact O-CG 3.32Å; L325-L329 WeakPolarHBondContact O-CG 3.44Å; L325-L329 PolarHBondContact O-N 3.49Å; L329-A337 HydrophobicContact CD2-CB 4.02Å; L329-L340 HydrophobicContact CD2-CD2 3.75Å; L329-M341 HydrophobicContact CD1-SD 4Å; L329-M341 HydrophobicContact CD2-CG 4.26Å; L329-M341 HydrophobicContact CD2-SD 4.46Å
330	R	72.7	Confident	72.8	Confident	182 Å²	182	68.3 Å²	68.3	69%	0.687	36%	0.363	S	S	*	.	H	α-helix	trans	-72.9	-23.3	174.7	-78.8	178.5	-172.8	152.4	15.3	114.4	D315 P326 R327 L328	D315-R330 IonicContact OD2-CZ 2.64Å; D315-R330 IonicContact OD2-NH1 3.77Å; D315-R330 PolarHBondContact OD2-NH1 3.19Å; D315-R330 IonicContact OD2-NH2 2.72Å; D315-R330 PolarHBondContact OD2-NH2 3.06Å; P326-R330 WeakPolarHBondContact O-CB 3.43Å; P326-R330 VanDerWaalsContact O-CG 3.24Å; P326-R330 WeakPolarHBondContact O-CG 3.37Å; P326-R330 PolarHBondContact O-N 3.41Å; R327-R330 PolarHBondContact O-N 3.36Å; L328-R330 PolarHBondContact O-N 2.94Å
331	H	73.2	Confident	72.8	Confident	164 Å²	164	71.2 Å²	71.2	76%	0.759	38%	0.377	S	S	*	.	H	α-helix	trans	-92.4	-19	178.3	-69.2	89.1	0	0	0	112.6	R327 L328	R327-H331 PolarHBondContact O-N 3.45Å; R327-H331 PolarHBondContact O-ND1 2.8Å; L328-H331 PolarHBondContact O-N 3.19Å
332	F	70.5	Confident	72.3	Confident	91 Å²	91	75.7 Å²	75.7	40%	0.399	40%	0.397	S	S	.	.	S	Bend	trans	-73.1	147.9	172	-73.7	-51.7	0	0	0	111.3	L328 D336 A337 L340	L328-F332 HydrophobicContact CB-CE2 4.17Å; L328-F332 WeakPolarHBondContact O-CD2 3.29Å; L328-F332 PolarHBondContact O-N 3.08Å; L328-F332 VanDerWaalsContact O-N 3.16Å; F332-D336 HydrophobicContact CB-CB 3.99Å; F332-D336 HydrophobicContact CD1-CB 4.29Å; F332-D336 HydrophobicContact CG-CB 4.34Å; F332-A337 HydrophobicContact CB-CB 4.26Å; F332-L340 HydrophobicContact CD2-CD1 4.49Å; F332-L340 HydrophobicContact CE2-CD1 3.99Å
333	S	73.8	Confident	72.3	Confident	55 Å²	55	75.4 Å²	75.4	39%	0.385	40%	0.396	S	S	.	.			trans	-59.9	152.5	168.7	74.5	0	0	0	0	109	S335 D336 A337	S333-S335 PolarHBondContact O-N 2.83Å; S333-S335 VanDerWaalsContact O-N 3.14Å; S333-S335 PolarHBondContact OG-OG 3.06Å; S333-D336 PolarHBondContact O-N 3.47Å; S333-D336 PolarHBondContact OG-N 3.17Å; S333-D336 PolarHBondContact OG-OD2 3.37Å; S333-A337 PolarHBondContact O-N 3.08Å
334	A	73.8	Confident	71.9	Confident	78 Å²	78	75.7 Å²	75.7	65%	0.645	40%	0.397	S	S	*	.	H	α-helix	trans	-54	-38.3	-176.2	0	0	0	0	0	112.4	A337 E338	A334-A337 PolarHBondContact O-N 3.02Å; A334-E338 WeakPolarHBondContact O-CB 3.33Å; A334-E338 WeakPolarHBondContact O-CG 3.48Å; A334-E338 PolarHBondContact O-N 3.21Å
335	S	74.9	Confident	71.1	Confident	74 Å²	74	78.2 Å²	78.2	52%	0.517	41%	0.41	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.1	49.6	0	0	0	0	113.2	S333 E338 A339	S333-S335 PolarHBondContact O-N 2.83Å; S333-S335 VanDerWaalsContact O-N 3.14Å; S333-S335 PolarHBondContact OG-OG 3.06Å; S335-E338 PolarHBondContact O-N 3.37Å; S335-A339 WeakPolarHBondContact O-CB 3.45Å; S335-A339 PolarHBondContact O-N 3.43Å
336	D	75.1	Confident	70.6	Confident	85 Å²	85	83.4 Å²	83.4	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-73.3	-36.3	-179.5	-60.3	-28.4	0	0	0	111.3	F332 S333 A339 L340	F332-D336 HydrophobicContact CB-CB 3.99Å; F332-D336 HydrophobicContact CD1-CB 4.29Å; F332-D336 HydrophobicContact CG-CB 4.34Å; S333-D336 PolarHBondContact O-N 3.47Å; S333-D336 PolarHBondContact OG-N 3.17Å; S333-D336 PolarHBondContact OG-OD2 3.37Å; D336-A339 PolarHBondContact O-N 2.82Å; D336-L340 VanDerWaalsContact O-CB 3.3Å; D336-L340 WeakPolarHBondContact O-CB 3.5Å; D336-L340 PolarHBondContact O-N 3.01Å
337	A	72.6	Confident	70.1	Confident	18 Å²	18	90.1 Å²	90.1	15%	0.149	46%	0.46	C	S	.	.	H	α-helix	trans	-64	-41.3	173.8	0	0	0	0	0	111.3	L329 F332 S333 A334 M341	L329-A337 HydrophobicContact CD2-CB 4.02Å; F332-A337 HydrophobicContact CB-CB 4.26Å; S333-A337 PolarHBondContact O-N 3.08Å; A334-A337 PolarHBondContact O-N 3.02Å; A337-M341 WeakPolarHBondContact O-CB 3.5Å; A337-M341 VanDerWaalsContact O-CG 3.28Å; A337-M341 WeakPolarHBondContact O-CG 3.43Å; A337-M341 PolarHBondContact O-N 2.88Å
338	E	72.4	Confident	68.8	Low	140 Å²	140	89.8 Å²	89.8	65%	0.654	47%	0.47	S	S	*	.	H	α-helix	trans	-63.8	-47.4	173.8	-77.1	177.4	-179.9	0	0	111.9	A334 S335 L340 M341 Q342	A334-E338 WeakPolarHBondContact O-CB 3.33Å; A334-E338 WeakPolarHBondContact O-CG 3.48Å; A334-E338 PolarHBondContact O-N 3.21Å; S335-E338 PolarHBondContact O-N 3.37Å; E338-L340 VanDerWaalsContact C-N 3.32Å; E338-L340 PolarHBondContact O-N 3.01Å; E338-M341 PolarHBondContact O-N 3.16Å; E338-Q342 WeakPolarHBondContact O-CB 3.49Å; E338-Q342 PolarHBondContact O-N 3.32Å
339	A	73.2	Confident	67.7	Low	56 Å²	56	88.8 Å²	88.8	46%	0.463	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-41	177.7	0	0	0	0	0	112.2	S335 D336 Q342 L343	S335-A339 WeakPolarHBondContact O-CB 3.45Å; S335-A339 PolarHBondContact O-N 3.43Å; D336-A339 PolarHBondContact O-N 2.82Å; A339-Q342 PolarHBondContact O-N 3.37Å; A339-L343 WeakPolarHBondContact O-CB 3.49Å; A339-L343 PolarHBondContact O-N 3.11Å
340	L	70.5	Confident	67.1	Low	59 Å²	59	87.9 Å²	87.9	31%	0.309	47%	0.47	S	S	.	.	H	α-helix	trans	-67.6	-40	176.4	-171.4	142.9	0	0	0	111.6	L329 F332 D336 E338 L343 I344	L329-L340 HydrophobicContact CD2-CD2 3.75Å; F332-L340 HydrophobicContact CD2-CD1 4.49Å; F332-L340 HydrophobicContact CE2-CD1 3.99Å; D336-L340 VanDerWaalsContact O-CB 3.3Å; D336-L340 WeakPolarHBondContact O-CB 3.5Å; D336-L340 PolarHBondContact O-N 3.01Å; E338-L340 VanDerWaalsContact C-N 3.32Å; E338-L340 PolarHBondContact O-N 3.01Å; L340-L343 PolarHBondContact O-N 3.48Å; L340-I344 HydrophobicContact CD2-CD1 3.49Å; L340-I344 VanDerWaalsContact CD2-CD1 3.49Å; L340-I344 HydrophobicContact CD2-CG1 4.33Å; L340-I344 HydrophobicContact CG-CD1 4.48Å; L340-I344 VanDerWaalsContact O-CG1 3.26Å; L340-I344 WeakPolarHBondContact O-CG1 3.46Å; L340-I344 PolarHBondContact O-N 3.27Å
341	M	68.6	Low	66.1	Low	79 Å²	79	80.4 Å²	80.4	39%	0.389	45%	0.449	S	S	.	.	H	α-helix	trans	-65.5	-38.9	173.6	-76.4	-57.3	-60.5	0	0	112.1	L329 A337 E338 I344 L345	L329-M341 HydrophobicContact CD1-SD 4Å; L329-M341 HydrophobicContact CD2-CG 4.26Å; L329-M341 HydrophobicContact CD2-SD 4.46Å; A337-M341 WeakPolarHBondContact O-CB 3.5Å; A337-M341 VanDerWaalsContact O-CG 3.28Å; A337-M341 WeakPolarHBondContact O-CG 3.43Å; A337-M341 PolarHBondContact O-N 2.88Å; E338-M341 PolarHBondContact O-N 3.16Å; M341-I344 PolarHBondContact O-N 3.3Å; M341-I344 HydrophobicContact SD-CD1 4.25Å; M341-L345 WeakPolarHBondContact O-CB 3.34Å; M341-L345 VanDerWaalsContact O-CG 3.26Å; M341-L345 WeakPolarHBondContact O-CG 3.5Å; M341-L345 PolarHBondContact O-N 3.38Å
342	Q	64	Low	65.1	Low	114 Å²	114	78.8 Å²	78.8	53%	0.533	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-44.7	175.5	-172.4	175.4	-9.7	0	0	111	E338 A339 I344 L345 E346	E338-Q342 WeakPolarHBondContact O-CB 3.49Å; E338-Q342 PolarHBondContact O-N 3.32Å; A339-Q342 PolarHBondContact O-N 3.37Å; Q342-I344 PolarHBondContact O-N 3.38Å; Q342-L345 PolarHBondContact O-N 3.1Å; Q342-L345 VanDerWaalsContact O-N 3.16Å; Q342-E346 PolarHBondContact NE2-OE1 2.93Å; Q342-E346 VanDerWaalsContact NE2-OE1 3.17Å; Q342-E346 WeakPolarHBondContact O-CB 3.48Å; Q342-E346 WeakPolarHBondContact O-CG 2.83Å; Q342-E346 PolarHBondContact O-N 3.2Å
343	L	69.8	Low	64	Low	97 Å²	97	80.4 Å²	80.4	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-59.6	-45.7	173.8	-167.5	156.3	0	0	0	111	A339 L340 L345 E346 F347	A339-L343 WeakPolarHBondContact O-CB 3.49Å; A339-L343 PolarHBondContact O-N 3.11Å; L340-L343 PolarHBondContact O-N 3.48Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 2.93Å; L343-E346 PolarHBondContact O-N 2.9Å; L343-F347 HydrophobicContact CD2-CD2 3.38Å; L343-F347 HydrophobicContact CD2-CE2 3.66Å; L343-F347 HydrophobicContact CD2-CG 4.38Å; L343-F347 HydrophobicContact CG-CD2 3.81Å; L343-F347 HydrophobicContact CG-CE2 3.88Å; L343-F347 WeakPolarHBondContact O-CB 3.26Å; L343-F347 WeakPolarHBondContact O-CD2 3.1Å; L343-F347 PolarHBondContact O-N 3.4Å
344	I	62.7	Low	62.8	Low	64 Å²	64	83.3 Å²	83.3	33%	0.328	46%	0.464	S	S	.	.	H	α-helix	trans	-59.2	-42.8	174.9	-70.3	169.4	0	0	0	111.3	L340 M341 Q342 S348	L340-I344 HydrophobicContact CD2-CD1 3.49Å; L340-I344 VanDerWaalsContact CD2-CD1 3.49Å; L340-I344 HydrophobicContact CD2-CG1 4.33Å; L340-I344 HydrophobicContact CG-CD1 4.48Å; L340-I344 VanDerWaalsContact O-CG1 3.26Å; L340-I344 WeakPolarHBondContact O-CG1 3.46Å; L340-I344 PolarHBondContact O-N 3.27Å; M341-I344 PolarHBondContact O-N 3.3Å; M341-I344 HydrophobicContact SD-CD1 4.25Å; Q342-I344 PolarHBondContact O-N 3.38Å; I344-S348 WeakPolarHBondContact O-CB 3.42Å; I344-S348 PolarHBondContact O-N 2.89Å; I344-S348 PolarHBondContact O-OG 3.13Å
345	L	58.8	Low	61.5	Low	59 Å²	59	87.3 Å²	87.3	31%	0.309	47%	0.472	S	S	.	.	H	α-helix	trans	-68.6	-37.7	-179.7	-74.5	170.4	0	0	0	112.9	M341 Q342 L343 S348 G349 A350 G351 L354	M341-L345 WeakPolarHBondContact O-CB 3.34Å; M341-L345 VanDerWaalsContact O-CG 3.26Å; M341-L345 WeakPolarHBondContact O-CG 3.5Å; M341-L345 PolarHBondContact O-N 3.38Å; Q342-L345 PolarHBondContact O-N 3.1Å; Q342-L345 VanDerWaalsContact O-N 3.16Å; L343-L345 VanDerWaalsContact C-N 3.33Å; L343-L345 PolarHBondContact O-N 2.93Å; L345-S348 PolarHBondContact O-OG 3.09Å; L345-G349 PolarHBondContact O-N 3.22Å; L345-A350 HydrophobicContact CD2-CB 3.82Å; L345-A350 PolarHBondContact O-N 2.78Å; L345-G351 PolarHBondContact O-N 2.94Å; L345-G351 VanDerWaalsContact O-N 3.16Å; L345-L354 HydrophobicContact CD2-CD1 3.91Å
346	E	64.2	Low	60.2	Low	131 Å²	131	93.4 Å²	93.4	61%	0.612	48%	0.483	S	S	*	.	H	α-helix	trans	-68.3	-48.1	175.3	-76.4	177.5	-167.4	0	0	111	Q342 L343 G349	Q342-E346 PolarHBondContact NE2-OE1 2.93Å; Q342-E346 VanDerWaalsContact NE2-OE1 3.17Å; Q342-E346 WeakPolarHBondContact O-CB 3.48Å; Q342-E346 WeakPolarHBondContact O-CG 2.83Å; Q342-E346 PolarHBondContact O-N 3.2Å; L343-E346 PolarHBondContact O-N 2.9Å; E346-G349 PolarHBondContact O-N 2.96Å
347	F	61.6	Low	58.6	Low	173 Å²	173	91.3 Å²	91.3	76%	0.759	48%	0.482	S	S	*	.	H	α-helix	trans	-70.3	-32.1	179	-87.9	-84.6	0	0	0	113.6	L343 G349	L343-F347 HydrophobicContact CD2-CD2 3.38Å; L343-F347 HydrophobicContact CD2-CE2 3.66Å; L343-F347 HydrophobicContact CD2-CG 4.38Å; L343-F347 HydrophobicContact CG-CD2 3.81Å; L343-F347 HydrophobicContact CG-CE2 3.88Å; L343-F347 WeakPolarHBondContact O-CB 3.26Å; L343-F347 WeakPolarHBondContact O-CD2 3.1Å; L343-F347 PolarHBondContact O-N 3.4Å; F347-G349 VanDerWaalsContact C-N 3.32Å
348	S	49	Very low	57	Low	72 Å²	72	97.7 Å²	97.7	50%	0.503	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.7	178.2	62.6	0	0	0	0	113.8	I344 L345 A350	I344-S348 WeakPolarHBondContact O-CB 3.42Å; I344-S348 PolarHBondContact O-N 2.89Å; I344-S348 PolarHBondContact O-OG 3.13Å; L345-S348 PolarHBondContact O-OG 3.09Å; S348-A350 PolarHBondContact O-N 3.29Å; S348-A350 VanDerWaalsContact O-N 3.1Å; S348-A350 VanDerWaalsContact OG-CB 3.27Å; S348-A350 WeakPolarHBondContact OG-CB 3.28Å; S348-A350 PolarHBondContact OG-N 2.9Å
349	G	48.6	Very low	55.2	Low	27 Å²	27	98.8 Å²	98.8	28%	0.278	52%	0.519	S	S	.	.	S	Bend	trans	66.1	2	-170.5	0	0	0	0	0	113.8	L345 E346 F347 G351 E352 I353	L345-G349 PolarHBondContact O-N 3.22Å; E346-G349 PolarHBondContact O-N 2.96Å; F347-G349 VanDerWaalsContact C-N 3.32Å; G349-G351 PolarHBondContact O-N 2.95Å; G349-E352 PolarHBondContact O-N 3.41Å; G349-I353 PolarHBondContact O-N 3.09Å
350	A	58.3	Low	53.5	Low	28 Å²	28	103.1 Å²	103.1	23%	0.231	54%	0.539	C	S	.	.	H	α-helix	trans	-63.5	-27.8	177.9	0	0	0	0	0	111.5	L345 S348 I353 L354	L345-A350 HydrophobicContact CD2-CB 3.82Å; L345-A350 PolarHBondContact O-N 2.78Å; S348-A350 PolarHBondContact O-N 3.29Å; S348-A350 VanDerWaalsContact O-N 3.1Å; S348-A350 VanDerWaalsContact OG-CB 3.27Å; S348-A350 WeakPolarHBondContact OG-CB 3.28Å; S348-A350 PolarHBondContact OG-N 2.9Å; A350-I353 PolarHBondContact O-N 3.02Å; A350-L354 WeakPolarHBondContact O-CB 3.4Å; A350-L354 VanDerWaalsContact O-CG 3.25Å; A350-L354 WeakPolarHBondContact O-CG 3.41Å; A350-L354 PolarHBondContact O-N 2.88Å
351	G	52.1	Low	51.9	Low	24 Å²	24	104.9 Å²	104.9	25%	0.247	55%	0.552	C	S	.	*	H	α-helix	trans	-56.9	-45.5	171.7	0	0	0	0	0	113.2	L345 G349 I353 L354 M355	L345-G351 PolarHBondContact O-N 2.94Å; L345-G351 VanDerWaalsContact O-N 3.16Å; G349-G351 PolarHBondContact O-N 2.95Å; G351-I353 VanDerWaalsContact C-N 3.34Å; G351-I353 PolarHBondContact O-N 3.38Å; G351-L354 PolarHBondContact O-N 3.38Å; G351-M355 VanDerWaalsContact O-CB 3.31Å; G351-M355 WeakPolarHBondContact O-CB 3.44Å; G351-M355 WeakPolarHBondContact O-CG 3.47Å; G351-M355 PolarHBondContact O-N 3.34Å
352	E	52	Low	50.3	Low	131 Å²	131	111 Å²	111	61%	0.612	57%	0.572	S	S	*	*	H	α-helix	trans	-67.6	-34.1	177.8	-72.2	-169	167.9	0	0	112.6	G349 R356	G349-E352 PolarHBondContact O-N 3.41Å; E352-R356 WeakPolarHBondContact O-CB 3.29Å; E352-R356 WeakPolarHBondContact O-CG 3.24Å; E352-R356 PolarHBondContact O-N 3.21Å
353	I	49.1	Very low	49	Very low	124 Å²	124	114.9 Å²	114.9	64%	0.636	59%	0.59	S	S	*	*	H	α-helix	trans	-72	-39.9	178.5	-60.1	168.2	0	0	0	110.4	G349 A350 G351 R356 G357	G349-I353 PolarHBondContact O-N 3.09Å; A350-I353 PolarHBondContact O-N 3.02Å; G351-I353 VanDerWaalsContact C-N 3.34Å; G351-I353 PolarHBondContact O-N 3.38Å; I353-R356 PolarHBondContact O-N 3.15Å; I353-G357 PolarHBondContact O-N 3.21Å
354	L	47	Very low	47.5	Very low	117 Å²	117	116.2 Å²	116.2	61%	0.613	59%	0.592	S	S	*	*	H	α-helix	trans	-69.4	-36.8	174.9	-71.1	169.3	0	0	0	111.7	L345 A350 G351 G357	L345-L354 HydrophobicContact CD2-CD1 3.91Å; A350-L354 WeakPolarHBondContact O-CB 3.4Å; A350-L354 VanDerWaalsContact O-CG 3.25Å; A350-L354 WeakPolarHBondContact O-CG 3.41Å; A350-L354 PolarHBondContact O-N 2.88Å; G351-L354 PolarHBondContact O-N 3.38Å; L354-G357 WeakPolarHBondContact O-CA 3.3Å; L354-G357 PolarHBondContact O-N 3Å
355	M	47.1	Very low	46.4	Very low	162 Å²	162	119.2 Å²	119.2	80%	0.798	61%	0.614	S	S	*	*	H	α-helix	trans	-76.5	-24.3	176.4	-66.8	-66.7	-106.8	0	0	113.2	G351	G351-M355 VanDerWaalsContact O-CB 3.31Å; G351-M355 WeakPolarHBondContact O-CB 3.44Å; G351-M355 WeakPolarHBondContact O-CG 3.47Å; G351-M355 PolarHBondContact O-N 3.34Å
356	R	48.1	Very low	45.5	Very low	201 Å²	201	122.3 Å²	122.3	76%	0.758	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-10.1	164.3	-77	178.4	179.7	158.5	6.4	112.8	E352 I353 N358	E352-R356 WeakPolarHBondContact O-CB 3.29Å; E352-R356 WeakPolarHBondContact O-CG 3.24Å; E352-R356 PolarHBondContact O-N 3.21Å; I353-R356 PolarHBondContact O-N 3.15Å; R356-N358 PolarHBondContact O-N 3.31Å
357	G	41.7	Very low	44.6	Very low	41 Å²	41	121.3 Å²	121.3	42%	0.423	63%	0.627	S	S	.	*			trans	-79.8	36.9	-177	0	0	0	0	0	115.5	I353 L354 Q359	I353-G357 PolarHBondContact O-N 3.21Å; L354-G357 WeakPolarHBondContact O-CA 3.3Å; L354-G357 PolarHBondContact O-N 3Å; G357-Q359 PolarHBondContact O-N 3.32Å
358	N	37.2	Very low	43.5	Very low	153 Å²	153	118.3 Å²	118.3	82%	0.818	61%	0.614	S	S	*	*	S	Bend	trans	-61	108.9	164.5	-88	-20.3	0	0	0	109.1	R356	R356-N358 PolarHBondContact O-N 3.31Å
359	Q	36.2	Very low	43	Very low	163 Å²	163	120.6 Å²	120.6	76%	0.762	62%	0.62	S	S	*	*			trans	60	79.8	167.7	-65.3	-174	-11.2	0	0	116	G357 T361	G357-Q359 PolarHBondContact O-N 3.32Å; Q359-T361 PolarHBondContact O-N 3.42Å
360	V	37.5	Very low	42.9	Very low	146 Å²	146	124.4 Å²	124.4	89%	0.885	63%	0.63	S	S	*	*			trans	-72.7	68.8	151.8	-171.4	0	0	0	0	108.6
361	T	36.3	Very low	42.1	Very low	97 Å²	97	125.4 Å²	125.4	60%	0.595	63%	0.634	S	S	*	*	S	Bend	trans	-142	108.9	172.9	38.5	0	0	0	0	109.3	Q359	Q359-T361 PolarHBondContact O-N 3.42Å
362	Y	35.8	Very low	41.6	Very low	207 Å²	207	127.1 Å²	127.1	81%	0.812	64%	0.639	S	S	*	*			trans	41.1	81.2	168.1	-81.2	-90	0	0	0	117.6	K364	Y362-K364 PolarHBondContact O-N 2.64Å
363	Q	36.4	Very low	41.4	Very low	195 Å²	195	126.1 Å²	126.1	91%	0.911	64%	0.635	S	S	*	*			trans	-68.8	97.8	157.9	-78.8	-174.9	-6.8	0	0	109.8	T365	Q363-T365 PolarHBondContact O-N 3.42Å
364	K	38	Very low	41.3	Very low	125 Å²	125	126.4 Å²	126.4	54%	0.543	64%	0.642	S	S	.	*			trans	-46.5	125.7	154.5	-164.7	-171.6	-153.7	169	0	108.8	T132 Y362 M366	T132-K364 PolarHBondContact OG1-NZ 3.34Å; Y362-K364 PolarHBondContact O-N 2.64Å; K364-M366 VanDerWaalsContact C-N 3.34Å; K364-M366 PolarHBondContact O-N 3.41Å
365	T	39	Very low	41.2	Very low	128 Å²	128	128.7 Å²	128.7	79%	0.785	65%	0.649	S	S	*	*			trans	-60.1	94.2	176.5	51.2	0	0	0	0	109.4	Q363 N367	Q363-T365 PolarHBondContact O-N 3.42Å; T365-N367 PolarHBondContact O-N 3.01Å
366	M	41.1	Very low	41.3	Very low	123 Å²	123	124.3 Å²	124.3	61%	0.606	64%	0.635	S	S	*	*			trans	-57	132.9	152.6	-70.5	-70.7	-106.4	0	0	105.9	K364 F368 T371	K364-M366 VanDerWaalsContact C-N 3.34Å; K364-M366 PolarHBondContact O-N 3.41Å; M366-F368 PolarHBondContact O-N 2.93Å; M366-F368 VanDerWaalsContact O-N 3.16Å; M366-T371 HydrophobicContact CB-CG2 3.6Å; M366-T371 HydrophobicContact CG-CG2 4.11Å
367	N	44.7	Very low	41.6	Very low	110 Å²	110	119.5 Å²	119.5	59%	0.588	62%	0.621	S	S	*	*			trans	-57.4	128	171.8	-78	-21.4	0	0	0	107	T365 L369 E370 T371	T365-N367 PolarHBondContact O-N 3.01Å; N367-L369 PolarHBondContact O-N 3.14Å; N367-E370 PolarHBondContact O-N 2.95Å; N367-T371 PolarHBondContact O-N 3.45Å; N367-T371 PolarHBondContact O-OG1 3.01Å
368	F	38.4	Very low	42.2	Very low	110 Å²	110	121.1 Å²	121.1	48%	0.482	63%	0.625	S	S	.	*	H	α-helix	trans	-44.8	-38.2	179.4	179.4	-102.9	0	0	0	111.9	Y28 M366 T371 V372	Y28-F368 HydrophobicContact CD1-CD1 4.04Å; Y28-F368 AromaticContact CD1-CE1 3.81Å; Y28-F368 HydrophobicContact CD1-CE1 3.81Å; Y28-F368 AromaticContact CD2-CE1 3.94Å; Y28-F368 HydrophobicContact CD2-CE1 3.94Å; Y28-F368 HydrophobicContact CD2-CZ 4.37Å; Y28-F368 AromaticContact CE1-CD1 3.93Å; Y28-F368 HydrophobicContact CE1-CD1 3.93Å; Y28-F368 HydrophobicContact CE1-CE1 4Å; Y28-F368 HydrophobicContact CE2-CE1 4.13Å; Y28-F368 HydrophobicContact CE2-CZ 4.48Å; Y28-F368 HydrophobicContact CG-CD1 4.47Å; Y28-F368 AromaticContact CG-CE1 3.79Å; Y28-F368 HydrophobicContact CG-CE1 3.79Å; M366-F368 PolarHBondContact O-N 2.93Å; M366-F368 VanDerWaalsContact O-N 3.16Å; F368-T371 WeakPolarHBondContact CA-OG1 3.32Å; F368-T371 PolarHBondContact O-N 2.96Å; F368-T371 PolarHBondContact O-OG1 3.49Å; F368-V372 HydrophobicContact CD1-CG2 4.1Å; F368-V372 HydrophobicContact CD2-CG2 4.35Å; F368-V372 HydrophobicContact CE1-CG2 3.85Å; F368-V372 HydrophobicContact CE2-CG2 4.12Å; F368-V372 HydrophobicContact CG-CG2 4.35Å; F368-V372 HydrophobicContact CZ-CG2 3.86Å; F368-V372 VanDerWaalsContact O-CB 3.3Å; F368-V372 WeakPolarHBondContact O-CB 3.44Å; F368-V372 WeakPolarHBondContact O-CG2 3.45Å; F368-V372 PolarHBondContact O-N 2.95Å
369	L	37.6	Very low	43.1	Very low	121 Å²	121	117 Å²	117	63%	0.634	61%	0.606	S	S	*	*	H	α-helix	trans	-60.5	-40.9	175.3	-86.9	157.9	0	0	0	114.7	N367 V372 E373	N367-L369 PolarHBondContact O-N 3.14Å; L369-V372 PolarHBondContact O-N 2.93Å; L369-E373 WeakPolarHBondContact O-CB 3.34Å; L369-E373 WeakPolarHBondContact O-CG 3.42Å; L369-E373 PolarHBondContact O-N 2.8Å
370	E	46.8	Very low	44.1	Very low	107 Å²	107	111.1 Å²	111.1	50%	0.5	59%	0.589	S	S	.	*	H	α-helix	trans	-73.3	-38.6	179.5	-89.1	-179.3	155.8	0	0	111.9	N367 V372 V374	N367-E370 PolarHBondContact O-N 2.95Å; E370-V372 VanDerWaalsContact C-N 3.31Å; E370-V374 WeakPolarHBondContact O-CG2 3.39Å; E370-V374 PolarHBondContact O-N 3.2Å
371	T	40.9	Very low	45.1	Very low	49 Å²	49	107.9 Å²	107.9	30%	0.301	56%	0.564	S	S	.	*	H	α-helix	trans	-65.1	-37.5	172.2	36.6	0	0	0	0	111.8	M366 N367 F368 Q375	M366-T371 HydrophobicContact CB-CG2 3.6Å; M366-T371 HydrophobicContact CG-CG2 4.11Å; N367-T371 PolarHBondContact O-N 3.45Å; N367-T371 PolarHBondContact O-OG1 3.01Å; F368-T371 WeakPolarHBondContact CA-OG1 3.32Å; F368-T371 PolarHBondContact O-N 2.96Å; F368-T371 PolarHBondContact O-OG1 3.49Å; T371-Q375 WeakPolarHBondContact O-CB 3.2Å; T371-Q375 WeakPolarHBondContact O-CG 3.29Å; T371-Q375 PolarHBondContact O-N 2.92Å
372	V	43.2	Very low	46.3	Very low	60 Å²	60	107.4 Å²	107.4	36%	0.364	55%	0.552	S	S	.	*	H	α-helix	trans	-71.5	-44.5	177.5	170.9	0	0	0	0	110.7	F368 L369 E370 V374 Q375 S376	F368-V372 HydrophobicContact CD1-CG2 4.1Å; F368-V372 HydrophobicContact CD2-CG2 4.35Å; F368-V372 HydrophobicContact CE1-CG2 3.85Å; F368-V372 HydrophobicContact CE2-CG2 4.12Å; F368-V372 HydrophobicContact CG-CG2 4.35Å; F368-V372 HydrophobicContact CZ-CG2 3.86Å; F368-V372 VanDerWaalsContact O-CB 3.3Å; F368-V372 WeakPolarHBondContact O-CB 3.44Å; F368-V372 WeakPolarHBondContact O-CG2 3.45Å; F368-V372 PolarHBondContact O-N 2.95Å; L369-V372 PolarHBondContact O-N 2.93Å; E370-V372 VanDerWaalsContact C-N 3.31Å; V372-V374 PolarHBondContact O-N 3.4Å; V372-Q375 PolarHBondContact O-N 3.43Å; V372-S376 WeakPolarHBondContact O-CA 3.26Å; V372-S376 WeakPolarHBondContact O-CB 3.13Å; V372-S376 PolarHBondContact O-N 3.45Å; V372-S376 PolarHBondContact O-OG 3.37Å
373	E	46.9	Very low	47.5	Very low	110 Å²	110	99.1 Å²	99.1	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-63.8	-38.9	-179.5	-82.3	-177.7	171.1	0	0	113.6	L124 L369	L124-E373 WeakPolarHBondContact CD1-OE1 3.39Å; L369-E373 WeakPolarHBondContact O-CB 3.34Å; L369-E373 WeakPolarHBondContact O-CG 3.42Å; L369-E373 PolarHBondContact O-N 2.8Å
374	V	48	Very low	48.7	Very low	130 Å²	130	91.8 Å²	91.8	79%	0.788	49%	0.488	S	S	*	.	H	α-helix	trans	-75.2	-31.1	-178.7	174.9	0	0	0	0	111.9	E370 V372	E370-V374 WeakPolarHBondContact O-CG2 3.39Å; E370-V374 PolarHBondContact O-N 3.2Å; V372-V374 PolarHBondContact O-N 3.4Å
375	Q	45.4	Very low	49.8	Very low	165 Å²	165	89.5 Å²	89.5	77%	0.771	48%	0.48	S	S	*	.	H	α-helix	trans	-100.6	-11.7	-178	-63.9	-173.2	-32	0	0	113.8	T371 V372 E377	T371-Q375 WeakPolarHBondContact O-CB 3.2Å; T371-Q375 WeakPolarHBondContact O-CG 3.29Å; T371-Q375 PolarHBondContact O-N 2.92Å; V372-Q375 PolarHBondContact O-N 3.43Å; Q375-E377 PolarHBondContact O-N 2.86Å
376	S	47.3	Very low	50.6	Low	70 Å²	70	88.1 Å²	88.1	49%	0.49	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-78.9	116.7	-179.6	63.4	0	0	0	0	111	V372	V372-S376 WeakPolarHBondContact O-CA 3.26Å; V372-S376 WeakPolarHBondContact O-CB 3.13Å; V372-S376 PolarHBondContact O-N 3.45Å; V372-S376 PolarHBondContact O-OG 3.37Å
377	E	54.2	Low	51.6	Low	99 Å²	99	88.2 Å²	88.2	46%	0.463	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-63.1	153.1	161.3	-66.5	174.2	177.9	0	0	110.4	Q375 V379	Q375-E377 PolarHBondContact O-N 2.86Å; E377-V379 PolarHBondContact O-N 3.27Å
378	S	55.2	Low	52	Low	75 Å²	75	95 Å²	95	52%	0.524	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-57.9	136	171.7	74	0	0	0	0	109.3	G380 Q381 Y382	S378-G380 PolarHBondContact O-N 3.16Å; S378-Q381 WeakPolarHBondContact O-CA 3.11Å; S378-Q381 WeakPolarHBondContact O-CB 3.01Å; S378-Q381 PolarHBondContact O-N 3.46Å; S378-Q381 VanDerWaalsContact OG-CB 3.32Å; S378-Q381 WeakPolarHBondContact OG-CB 3.14Å; S378-Q381 PolarHBondContact OG-N 3.06Å; S378-Y382 PolarHBondContact O-N 3.29Å
379	V	57.2	Low	53.2	Low	67 Å²	67	93.1 Å²	93.1	41%	0.406	47%	0.472	S	S	.	.	H	α-helix	trans	-54.3	-32.5	-177.5	-174.5	0	0	0	0	111.7	L39 L43 E377 L383	L39-V379 HydrophobicContact CD1-CG1 4.07Å; L39-V379 HydrophobicContact CD2-CG1 3.98Å; L39-V379 HydrophobicContact CG-CG1 4.32Å; L43-V379 HydrophobicContact CD1-CG1 3.85Å; L43-V379 HydrophobicContact CD2-CG1 4.18Å; L43-V379 HydrophobicContact CG-CG1 4.49Å; E377-V379 PolarHBondContact O-N 3.27Å; V379-L383 HydrophobicContact CG1-CD1 4.36Å; V379-L383 WeakPolarHBondContact O-CB 3.33Å; V379-L383 WeakPolarHBondContact O-CG 2.96Å; V379-L383 PolarHBondContact O-N 3.37Å
380	G	56.3	Low	54.5	Low	39 Å²	39	93.9 Å²	93.9	40%	0.402	47%	0.47	S	S	.	.	H	α-helix	trans	-64.5	-39.5	173.9	0	0	0	0	0	113.4	S378 L384	S378-G380 PolarHBondContact O-N 3.16Å; G380-L384 WeakPolarHBondContact O-CB 3.41Å; G380-L384 WeakPolarHBondContact O-CD1 3.41Å; G380-L384 WeakPolarHBondContact O-CG 3.43Å; G380-L384 PolarHBondContact O-N 3.41Å
381	Q	59.5	Low	55.4	Low	79 Å²	79	99.6 Å²	99.6	37%	0.369	49%	0.487	S	S	.	.	H	α-helix	trans	-70.9	-45.5	176.5	-172.8	162.1	-5	0	0	111.5	S378 L383 L384 E385	S378-Q381 WeakPolarHBondContact O-CA 3.11Å; S378-Q381 WeakPolarHBondContact O-CB 3.01Å; S378-Q381 PolarHBondContact O-N 3.46Å; S378-Q381 VanDerWaalsContact OG-CB 3.32Å; S378-Q381 WeakPolarHBondContact OG-CB 3.14Å; S378-Q381 PolarHBondContact OG-N 3.06Å; Q381-L383 VanDerWaalsContact C-N 3.32Å; Q381-L383 PolarHBondContact O-N 3.25Å; Q381-L384 PolarHBondContact O-N 2.87Å; Q381-L384 VanDerWaalsContact O-N 3.07Å; Q381-E385 HydrophobicContact CG-CG 4.25Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.26Å; Q381-E385 PolarHBondContact NE2-OE1 2.92Å; Q381-E385 WeakPolarHBondContact O-CG 3.45Å; Q381-E385 PolarHBondContact O-N 3.31Å
382	Y	61.5	Low	56.7	Low	87 Å²	87	103.1 Å²	103.1	34%	0.341	50%	0.499	S	S	.	.	H	α-helix	trans	-54.8	-45.5	174.7	176	-102.8	0	0	0	112.5	S378 L384 K386	S378-Y382 PolarHBondContact O-N 3.29Å; Y382-L384 VanDerWaalsContact C-N 3.33Å; Y382-L384 PolarHBondContact O-N 2.68Å; Y382-K386 WeakPolarHBondContact O-CB 3.45Å; Y382-K386 PolarHBondContact O-N 2.9Å
383	L	59.7	Low	57.8	Low	33 Å²	33	100.5 Å²	100.5	17%	0.173	48%	0.483	C	S	.	.	H	α-helix	trans	-66	-32.7	177.8	-82	176.4	0	0	0	114	L39 L43 V379 Q381	L39-L383 HydrophobicContact CB-CD2 4.48Å; L39-L383 HydrophobicContact CD2-CD1 4.03Å; L39-L383 HydrophobicContact CD2-CD2 3.51Å; L39-L383 HydrophobicContact CD2-CG 3.76Å; L39-L383 HydrophobicContact CG-CD1 4.1Å; L39-L383 HydrophobicContact CG-CD2 4.1Å; L39-L383 HydrophobicContact CG-CG 4.36Å; L43-L383 HydrophobicContact CD1-CD1 3.28Å; V379-L383 HydrophobicContact CG1-CD1 4.36Å; V379-L383 WeakPolarHBondContact O-CB 3.33Å; V379-L383 WeakPolarHBondContact O-CG 2.96Å; V379-L383 PolarHBondContact O-N 3.37Å; Q381-L383 VanDerWaalsContact C-N 3.32Å; Q381-L383 PolarHBondContact O-N 3.25Å
384	L	61.6	Low	59	Low	40 Å²	40	100.4 Å²	100.4	21%	0.209	49%	0.486	C	S	.	.	H	α-helix	trans	-84.7	-32.1	-177.1	-74.9	172.4	0	0	0	112.2	G380 Q381 Y382 A393 I396	G380-L384 WeakPolarHBondContact O-CB 3.41Å; G380-L384 WeakPolarHBondContact O-CD1 3.41Å; G380-L384 WeakPolarHBondContact O-CG 3.43Å; G380-L384 PolarHBondContact O-N 3.41Å; Q381-L384 PolarHBondContact O-N 2.87Å; Q381-L384 VanDerWaalsContact O-N 3.07Å; Y382-L384 VanDerWaalsContact C-N 3.33Å; Y382-L384 PolarHBondContact O-N 2.68Å; L384-A393 HydrophobicContact CB-CB 3.56Å; L384-A393 HydrophobicContact CD1-CB 4.36Å; L384-A393 HydrophobicContact CG-CB 4.38Å; L384-I396 HydrophobicContact CD1-CG2 4.33Å; L384-I396 HydrophobicContact CD2-CD1 3.74Å
385	E	60.5	Low	60.3	Low	78 Å²	78	96.8 Å²	96.8	36%	0.364	47%	0.466	S	S	.	.	H	α-helix	trans	-73.8	-33.2	176	-74.1	-170.6	-163.7	0	0	112.9	Q381	Q381-E385 HydrophobicContact CG-CG 4.25Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.26Å; Q381-E385 PolarHBondContact NE2-OE1 2.92Å; Q381-E385 WeakPolarHBondContact O-CG 3.45Å; Q381-E385 PolarHBondContact O-N 3.31Å
386	K	57.7	Low	61.6	Low	98 Å²	98	90.6 Å²	90.6	43%	0.426	44%	0.438	S	S	.	.	H	α-helix	trans	-76.2	-25.5	179.8	-158.1	174.1	-172.5	179.3	0	113.3	E33 Y382	E33-K386 VanDerWaalsContact CB-NZ 3.31Å; E33-K386 PolarHBondContact O-NZ 2.91Å; Y382-K386 WeakPolarHBondContact O-CB 3.45Å; Y382-K386 PolarHBondContact O-N 2.9Å
387	K	60.3	Low	62.9	Low	126 Å²	126	90.2 Å²	90.2	55%	0.548	43%	0.431	S	S	.	.	S	Bend	trans	-72.3	128.2	165.7	-77.2	-179.2	176.4	175.3	0	107.3	D389	K387-D389 PolarHBondContact O-N 2.71Å
388	R	53.8	Low	64.2	Low	252 Å²	252	87.9 Å²	87.9	95%	0.951	43%	0.426	S	S	*	.	S	Bend	trans	-51.8	0.8	-177.2	-68.4	-176.6	-169.6	165.7	3	116.3
389	D	63.1	Low	65.4	Low	71 Å²	71	84.8 Å²	84.8	38%	0.38	40%	0.404	S	S	.	.			trans	-106.7	63	-178.2	-62.6	-37.9	0	0	0	111.7	K387 R391 K392 A393	K387-D389 PolarHBondContact O-N 2.71Å; D389-R391 PolarHBondContact O-N 3.02Å; D389-R391 VanDerWaalsContact O-N 3.08Å; D389-K392 HydrophobicContact CB-CB 3.8Å; D389-K392 HydrophobicContact CB-CD 3.63Å; D389-K392 HydrophobicContact CB-CG 3.73Å; D389-K392 WeakPolarHBondContact O-CA 3.48Å; D389-K392 WeakPolarHBondContact O-CB 3.41Å; D389-K392 PolarHBondContact O-N 3.15Å; D389-K392 VanDerWaalsContact OD2-CD 3.32Å; D389-K392 WeakPolarHBondContact OD2-CD 3.34Å; D389-K392 VanDerWaalsContact OD2-CE 3.22Å; D389-K392 WeakPolarHBondContact OD2-CE 3.31Å; D389-K392 IonicContact OD2-NZ 3.41Å; D389-K392 PolarHBondContact OD2-NZ 2.93Å; D389-A393 PolarHBondContact O-N 3.25Å
390	K	64.6	Low	66.5	Low	137 Å²	137	85.4 Å²	85.4	60%	0.596	40%	0.401	S	S	*	.	H	α-helix	trans	-48.1	-37.1	170.2	-73.1	-173.1	175.1	-173.2	0	112	K392 A393 D394	K390-K392 VanDerWaalsContact C-N 3.31Å; K390-K392 PolarHBondContact O-N 3.29Å; K390-A393 VanDerWaalsContact O-CB 3.24Å; K390-A393 WeakPolarHBondContact O-CB 3.46Å; K390-A393 PolarHBondContact O-N 3.43Å; K390-A393 VanDerWaalsContact O-N 3.11Å; K390-D394 PolarHBondContact O-N 3.39Å
391	R	67.2	Low	67.7	Low	226 Å²	226	89.3 Å²	89.3	85%	0.853	41%	0.407	S	S	*	.	H	α-helix	trans	-59.7	-35.8	174.7	-64	-174.7	-179.7	-174.6	0.4	113.6	D389 S395	D389-R391 PolarHBondContact O-N 3.02Å; D389-R391 VanDerWaalsContact O-N 3.08Å; R391-S395 VanDerWaalsContact O-CB 3.31Å; R391-S395 WeakPolarHBondContact O-CB 3.35Å; R391-S395 PolarHBondContact O-N 3.16Å; R391-S395 VanDerWaalsContact O-N 3.08Å
392	K	67.6	Low	69	Low	124 Å²	124	91.4 Å²	91.4	54%	0.539	42%	0.415	S	S	.	.	H	α-helix	trans	-73.2	-37	175.4	-70	-179.7	-168.1	161.3	0	110.8	D389 K390 S395 I396	D389-K392 HydrophobicContact CB-CB 3.8Å; D389-K392 HydrophobicContact CB-CD 3.63Å; D389-K392 HydrophobicContact CB-CG 3.73Å; D389-K392 WeakPolarHBondContact O-CA 3.48Å; D389-K392 WeakPolarHBondContact O-CB 3.41Å; D389-K392 PolarHBondContact O-N 3.15Å; D389-K392 VanDerWaalsContact OD2-CD 3.32Å; D389-K392 WeakPolarHBondContact OD2-CD 3.34Å; D389-K392 VanDerWaalsContact OD2-CE 3.22Å; D389-K392 WeakPolarHBondContact OD2-CE 3.31Å; D389-K392 IonicContact OD2-NZ 3.41Å; D389-K392 PolarHBondContact OD2-NZ 2.93Å; K390-K392 VanDerWaalsContact C-N 3.31Å; K390-K392 PolarHBondContact O-N 3.29Å; K392-S395 PolarHBondContact O-N 3.26Å; K392-I396 WeakPolarHBondContact O-CB 3.31Å; K392-I396 WeakPolarHBondContact O-CD1 3.37Å; K392-I396 WeakPolarHBondContact O-CG1 3.2Å; K392-I396 PolarHBondContact O-N 3.44Å
393	A	65.9	Low	70.1	Confident	5 Å²	5	87.9 Å²	87.9	4%	0.041	40%	0.402	C	S	.	.	H	α-helix	trans	-57.1	-50.1	174.1	0	0	0	0	0	111.8	L384 D389 K390 S395 I396 N397	L384-A393 HydrophobicContact CB-CB 3.56Å; L384-A393 HydrophobicContact CD1-CB 4.36Å; L384-A393 HydrophobicContact CG-CB 4.38Å; D389-A393 PolarHBondContact O-N 3.25Å; K390-A393 VanDerWaalsContact O-CB 3.24Å; K390-A393 WeakPolarHBondContact O-CB 3.46Å; K390-A393 PolarHBondContact O-N 3.43Å; K390-A393 VanDerWaalsContact O-N 3.11Å; A393-S395 PolarHBondContact O-N 2.96Å; A393-I396 PolarHBondContact O-N 3.41Å; A393-N397 WeakPolarHBondContact O-CB 3.2Å; A393-N397 PolarHBondContact O-N 2.94Å
394	D	73.3	Confident	71.3	Confident	107 Å²	107	92.2 Å²	92.2	57%	0.572	42%	0.422	S	S	*	.	H	α-helix	trans	-66.6	-38.2	179.3	-66.2	-29	0	0	0	112.1	K390 I396 N397 S398	K390-D394 PolarHBondContact O-N 3.39Å; D394-I396 VanDerWaalsContact C-N 3.34Å; D394-N397 PolarHBondContact O-N 3.41Å; D394-S398 VanDerWaalsContact O-CB 3.27Å; D394-S398 WeakPolarHBondContact O-CB 3.2Å; D394-S398 PolarHBondContact O-N 2.91Å; D394-S398 PolarHBondContact O-OG 2.97Å
395	S	74	Confident	72.4	Confident	54 Å²	54	99.3 Å²	99.3	38%	0.378	45%	0.446	S	S	.	.	H	α-helix	trans	-62.5	-40.8	173.4	-176	0	0	0	0	112.1	R391 K392 A393 S398 S399	R391-S395 VanDerWaalsContact O-CB 3.31Å; R391-S395 WeakPolarHBondContact O-CB 3.35Å; R391-S395 PolarHBondContact O-N 3.16Å; R391-S395 VanDerWaalsContact O-N 3.08Å; K392-S395 PolarHBondContact O-N 3.26Å; A393-S395 PolarHBondContact O-N 2.96Å; S395-S398 WeakPolarHBondContact CA-OG 3.32Å; S395-S398 PolarHBondContact O-OG 3.41Å; S395-S399 VanDerWaalsContact O-CB 3.26Å; S395-S399 WeakPolarHBondContact O-CB 3.32Å; S395-S399 PolarHBondContact O-N 2.96Å; S395-S399 PolarHBondContact O-OG 2.95Å
396	I	72.8	Confident	73.7	Confident	35 Å²	35	98.2 Å²	98.2	18%	0.179	45%	0.446	C	S	.	.	H	α-helix	trans	-66.6	-50	176.4	-71.7	166.4	0	0	0	110.4	L384 K392 A393 D394 S398 S399 F400 F438	L384-I396 HydrophobicContact CD1-CG2 4.33Å; L384-I396 HydrophobicContact CD2-CD1 3.74Å; K392-I396 WeakPolarHBondContact O-CB 3.31Å; K392-I396 WeakPolarHBondContact O-CD1 3.37Å; K392-I396 WeakPolarHBondContact O-CG1 3.2Å; K392-I396 PolarHBondContact O-N 3.44Å; A393-I396 PolarHBondContact O-N 3.41Å; D394-I396 VanDerWaalsContact C-N 3.34Å; I396-S398 VanDerWaalsContact C-N 3.35Å; I396-S398 PolarHBondContact O-N 2.89Å; I396-S399 WeakPolarHBondContact O-CB 3.47Å; I396-S399 PolarHBondContact O-N 3.03Å; I396-S399 VanDerWaalsContact O-N 3.16Å; I396-F400 HydrophobicContact CG2-CD2 3.63Å; I396-F400 HydrophobicContact CG2-CE2 3.57Å; I396-F400 VanDerWaalsContact O-CD2 3.28Å; I396-F400 WeakPolarHBondContact O-CD2 2.99Å; I396-F400 PolarHBondContact O-N 3.47Å; I396-F438 HydrophobicContact CB-CE1 4.3Å; I396-F438 HydrophobicContact CG1-CD1 4.24Å; I396-F438 HydrophobicContact CG1-CE1 3.83Å; I396-F438 HydrophobicContact CG2-CE1 3.85Å; I396-F438 HydrophobicContact CG2-CZ 4.41Å
397	N	74.7	Confident	75.1	Confident	63 Å²	63	95 Å²	95	34%	0.337	43%	0.433	S	S	.	.	H	α-helix	trans	-61.2	-41.7	179.2	-80.5	-19.1	0	0	0	112.3	A393 D394 F400 K401	A393-N397 WeakPolarHBondContact O-CB 3.2Å; A393-N397 PolarHBondContact O-N 2.94Å; D394-N397 PolarHBondContact O-N 3.41Å; N397-F400 PolarHBondContact O-N 2.77Å; N397-K401 WeakPolarHBondContact O-CG 3.07Å; N397-K401 PolarHBondContact O-N 3.22Å
398	S	81.4	Confident	76.5	Confident	50 Å²	50	92.4 Å²	92.4	35%	0.35	43%	0.425	S	S	.	.	H	α-helix	trans	-67.3	-36.2	175.7	61.4	0	0	0	0	112.3	D394 S395 I396 K401 K402	D394-S398 VanDerWaalsContact O-CB 3.27Å; D394-S398 WeakPolarHBondContact O-CB 3.2Å; D394-S398 PolarHBondContact O-N 2.91Å; D394-S398 PolarHBondContact O-OG 2.97Å; S395-S398 WeakPolarHBondContact CA-OG 3.32Å; S395-S398 PolarHBondContact O-OG 3.41Å; I396-S398 VanDerWaalsContact C-N 3.35Å; I396-S398 PolarHBondContact O-N 2.89Å; S398-K401 PolarHBondContact O-N 3.16Å; S398-K402 VanDerWaalsContact O-CG 3.31Å; S398-K402 WeakPolarHBondContact O-CG 3.34Å; S398-K402 PolarHBondContact O-N 2.89Å
399	S	81.5	Confident	78.2	Confident	10 Å²	10	85.3 Å²	85.3	7%	0.07	41%	0.412	C	S	.	.	H	α-helix	trans	-66.1	-41.2	174.5	-62.9	0	0	0	0	112.3	S395 I396 K402 L403 P437	S395-S399 VanDerWaalsContact O-CB 3.26Å; S395-S399 WeakPolarHBondContact O-CB 3.32Å; S395-S399 PolarHBondContact O-N 2.96Å; S395-S399 PolarHBondContact O-OG 2.95Å; I396-S399 WeakPolarHBondContact O-CB 3.47Å; I396-S399 PolarHBondContact O-N 3.03Å; I396-S399 VanDerWaalsContact O-N 3.16Å; S399-K402 PolarHBondContact O-N 3.4Å; S399-L403 PolarHBondContact O-N 3.03Å; S399-P437 VanDerWaalsContact OG-CB 3.27Å; S399-P437 WeakPolarHBondContact OG-CB 3.01Å; S399-P437 WeakPolarHBondContact OG-CG 3.24Å
400	F	78.8	Confident	79.3	Confident	79 Å²	79	88.9 Å²	88.9	35%	0.346	43%	0.426	S	S	.	.	H	α-helix	trans	-64	-44.4	173.2	-85.4	-68.8	0	0	0	112	M1 I396 N397 K402 L403 E404 F438	M1-F400 HydrophobicContact CE-CE1 4.3Å; M1-F400 HydrophobicContact CG-CE1 4.38Å; M1-F400 HydrophobicContact SD-CE1 4.38Å; I396-F400 HydrophobicContact CG2-CD2 3.63Å; I396-F400 HydrophobicContact CG2-CE2 3.57Å; I396-F400 VanDerWaalsContact O-CD2 3.28Å; I396-F400 WeakPolarHBondContact O-CD2 2.99Å; I396-F400 PolarHBondContact O-N 3.47Å; N397-F400 PolarHBondContact O-N 2.77Å; F400-K402 VanDerWaalsContact C-N 3.3Å; F400-K402 PolarHBondContact O-N 2.77Å; F400-L403 PolarHBondContact O-N 2.96Å; F400-L403 VanDerWaalsContact O-N 3.13Å; F400-E404 PolarHBondContact O-N 3.48Å; F400-F438 HydrophobicContact CD2-CZ 4.26Å; F400-F438 HydrophobicContact CE2-CE1 4.08Å; F400-F438 AromaticContact CE2-CZ 3.73Å; F400-F438 HydrophobicContact CE2-CZ 3.73Å; F400-F438 AromaticContact CZ-CZ 3.98Å; F400-F438 HydrophobicContact CZ-CZ 3.98Å
401	K	82.9	Confident	80.4	Confident	122 Å²	122	82.8 Å²	82.8	53%	0.53	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-39.2	174.3	-74.3	175.6	-179.5	178.1	0	112.1	N397 S398 E404 R405	N397-K401 WeakPolarHBondContact O-CG 3.07Å; N397-K401 PolarHBondContact O-N 3.22Å; S398-K401 PolarHBondContact O-N 3.16Å; K401-E404 PolarHBondContact O-N 3.22Å; K401-R405 WeakPolarHBondContact O-CB 3.27Å; K401-R405 WeakPolarHBondContact O-CD 3.26Å; K401-R405 WeakPolarHBondContact O-CG 3.12Å; K401-R405 PolarHBondContact O-N 2.91Å
402	K	85.8	Confident	81.3	Confident	123 Å²	123	78.3 Å²	78.3	54%	0.535	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-40.9	174.3	-76.5	175.5	-178.5	-179.4	0	111.9	S398 S399 F400 R405 S406 F430	S398-K402 VanDerWaalsContact O-CG 3.31Å; S398-K402 WeakPolarHBondContact O-CG 3.34Å; S398-K402 PolarHBondContact O-N 2.89Å; S399-K402 PolarHBondContact O-N 3.4Å; F400-K402 VanDerWaalsContact C-N 3.3Å; F400-K402 PolarHBondContact O-N 2.77Å; K402-R405 PolarHBondContact O-N 2.9Å; K402-S406 PolarHBondContact O-N 3.3Å; K402-S406 VanDerWaalsContact O-N 3.11Å; K402-F430 HydrophobicContact CB-CZ 4.11Å; K402-F430 HydrophobicContact CD-CZ 4.48Å
403	L	85.6	Confident	82.2	Confident	12 Å²	12	76.4 Å²	76.4	6%	0.063	38%	0.376	C	S	.	.	H	α-helix	trans	-68.1	-41.6	176.4	-175.7	146	0	0	0	112.5	S399 F400 R405 S406 L407 F430 L431	S399-L403 PolarHBondContact O-N 3.03Å; F400-L403 PolarHBondContact O-N 2.96Å; F400-L403 VanDerWaalsContact O-N 3.13Å; L403-R405 VanDerWaalsContact C-N 3.26Å; L403-R405 PolarHBondContact O-N 3.03Å; L403-S406 PolarHBondContact O-N 3.16Å; L403-S406 VanDerWaalsContact O-N 3.08Å; L403-S406 PolarHBondContact O-OG 2.92Å; L403-L407 PolarHBondContact O-N 3.04Å; L403-F430 HydrophobicContact CB-CE1 4.25Å; L403-F430 HydrophobicContact CD1-CD1 4.43Å; L403-L431 HydrophobicContact CD1-CD1 3.59Å; L403-L431 HydrophobicContact CD1-CD2 3.56Å; L403-L431 HydrophobicContact CD1-CG 3.58Å
404	E	83.2	Confident	83	Confident	125 Å²	125	78.2 Å²	78.2	58%	0.584	39%	0.385	S	S	*	.	H	α-helix	trans	-62.2	-38.2	176.9	-172	-177.4	-178.7	0	0	111.4	F400 K401 S406 L407	F400-E404 PolarHBondContact O-N 3.48Å; K401-E404 PolarHBondContact O-N 3.22Å; E404-S406 VanDerWaalsContact C-N 3.32Å; E404-S406 PolarHBondContact O-N 3.03Å; E404-L407 PolarHBondContact O-N 2.88Å
405	R	85.7	Confident	83.5	Confident	189 Å²	189	76.3 Å²	76.3	71%	0.713	37%	0.374	S	S	*	.	H	α-helix	trans	-67.1	-30.1	173.3	-71.3	169.9	-172.4	-180	0.5	113	K401 K402 L403 L407	K401-R405 WeakPolarHBondContact O-CB 3.27Å; K401-R405 WeakPolarHBondContact O-CD 3.26Å; K401-R405 WeakPolarHBondContact O-CG 3.12Å; K401-R405 PolarHBondContact O-N 2.91Å; K402-R405 PolarHBondContact O-N 2.9Å; L403-R405 VanDerWaalsContact C-N 3.26Å; L403-R405 PolarHBondContact O-N 3.03Å; R405-L407 VanDerWaalsContact C-N 3.3Å; R405-L407 PolarHBondContact O-N 3.07Å
406	S	87.7	Confident	83.6	Confident	55 Å²	55	81.6 Å²	81.6	39%	0.385	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.2	179.9	72.7	0	0	0	0	114.3	K402 L403 E404 L408 Q427	K402-S406 PolarHBondContact O-N 3.3Å; K402-S406 VanDerWaalsContact O-N 3.11Å; L403-S406 PolarHBondContact O-N 3.16Å; L403-S406 VanDerWaalsContact O-N 3.08Å; L403-S406 PolarHBondContact O-OG 2.92Å; E404-S406 VanDerWaalsContact C-N 3.32Å; E404-S406 PolarHBondContact O-N 3.03Å; S406-L408 PolarHBondContact O-N 3.23Å; S406-Q427 PolarHBondContact O-NE2 2.72Å
407	L	87.1	Confident	83.9	Confident	29 Å²	29	88.9 Å²	88.9	15%	0.152	42%	0.418	C	S	.	.			trans	-68.7	124.1	175.9	-71	171.1	0	0	0	111.7	L403 E404 R405 Q411 R412 I415	L403-L407 PolarHBondContact O-N 3.04Å; E404-L407 PolarHBondContact O-N 2.88Å; R405-L407 VanDerWaalsContact C-N 3.3Å; R405-L407 PolarHBondContact O-N 3.07Å; L407-Q411 HydrophobicContact CD2-CB 4.24Å; L407-R412 HydrophobicContact CB-CG 4.2Å; L407-I415 HydrophobicContact CD1-CD1 4.01Å; L407-I415 HydrophobicContact CD2-CD1 4.28Å
408	L	90.1	Very high	83.9	Confident	72 Å²	72	89.5 Å²	89.5	38%	0.377	42%	0.418	S	S	.	.			trans	-65.6	153.8	173.6	-71	171.2	0	0	0	111.3	S406 Q410 Q411 R412 N424	S406-L408 PolarHBondContact O-N 3.23Å; L408-Q410 VanDerWaalsContact C-N 3.26Å; L408-Q410 PolarHBondContact O-N 3.43Å; L408-Q411 HydrophobicContact CB-CB 4.44Å; L408-Q411 HydrophobicContact CB-CG 4.15Å; L408-Q411 WeakPolarHBondContact O-CA 2.92Å; L408-Q411 WeakPolarHBondContact O-CB 3.24Å; L408-Q411 PolarHBondContact O-N 2.9Å; L408-R412 PolarHBondContact O-N 2.79Å; L408-N424 WeakPolarHBondContact CD1-ND2 3.18Å
409	P	88.3	Confident	83.6	Confident	103 Å²	103	89 Å²	89	67%	0.669	42%	0.42	S	S	*	.	H	α-helix	trans	-54	-41.1	174	-26.2	34.4	0	0	0	113.4	Q411 R412 E413	P409-Q411 VanDerWaalsContact C-N 3.3Å; P409-Q411 PolarHBondContact O-N 2.98Å; P409-R412 PolarHBondContact O-N 3.22Å; P409-E413 PolarHBondContact O-N 3.11Å
410	Q	86.6	Confident	83.7	Confident	147 Å²	147	90.4 Å²	90.4	69%	0.687	43%	0.425	S	S	*	.	H	α-helix	trans	-61.1	-37.3	175.4	-68.5	178.2	-5.5	0	0	112.4	L408 D414	L408-Q410 VanDerWaalsContact C-N 3.26Å; L408-Q410 PolarHBondContact O-N 3.43Å; Q410-D414 WeakPolarHBondContact O-CB 3.37Å; Q410-D414 PolarHBondContact O-N 3.21Å
411	Q	88.2	Confident	84.1	Confident	9 Å²	9	88 Å²	88	4%	0.042	42%	0.417	C	S	.	.	H	α-helix	trans	-70.9	-37.6	177.3	-68.9	175.7	-40.9	0	0	111.5	L407 L408 P409 D414 I415 Y422	L407-Q411 HydrophobicContact CD2-CB 4.24Å; L408-Q411 HydrophobicContact CB-CB 4.44Å; L408-Q411 HydrophobicContact CB-CG 4.15Å; L408-Q411 WeakPolarHBondContact O-CA 2.92Å; L408-Q411 WeakPolarHBondContact O-CB 3.24Å; L408-Q411 PolarHBondContact O-N 2.9Å; P409-Q411 VanDerWaalsContact C-N 3.3Å; P409-Q411 PolarHBondContact O-N 2.98Å; Q411-D414 PolarHBondContact O-N 2.63Å; Q411-I415 WeakPolarHBondContact O-CB 3.29Å; Q411-I415 WeakPolarHBondContact O-CD1 3.47Å; Q411-I415 WeakPolarHBondContact O-CG1 3.25Å; Q411-I415 PolarHBondContact O-N 3.39Å; Q411-Y422 PolarHBondContact NE2-O 3.29Å
412	R	85.8	Confident	84.3	Confident	131 Å²	131	84.4 Å²	84.4	49%	0.494	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.3	-66.9	-178.2	-178	-178.1	-0.4	111.2	L407 L408 P409 I415 E416	L407-R412 HydrophobicContact CB-CG 4.2Å; L408-R412 PolarHBondContact O-N 2.79Å; P409-R412 PolarHBondContact O-N 3.22Å; R412-I415 PolarHBondContact O-N 3Å; R412-E416 WeakPolarHBondContact O-CG 3.49Å; R412-E416 PolarHBondContact O-N 3.03Å
413	E	86.3	Confident	84.3	Confident	84 Å²	84	80 Å²	80	39%	0.393	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-40.2	174.7	-174.5	172.6	-157.8	0	0	112	P409 E416 R417	P409-E413 PolarHBondContact O-N 3.11Å; E413-E416 PolarHBondContact O-N 2.97Å; E413-R417 HydrophobicContact CG-CG 4.33Å; E413-R417 VanDerWaalsContact O-CB 3.32Å; E413-R417 WeakPolarHBondContact O-CB 3.1Å; E413-R417 VanDerWaalsContact O-CG 3.29Å; E413-R417 WeakPolarHBondContact O-CG 3.19Å; E413-R417 PolarHBondContact O-N 3.23Å; E413-R417 IonicContact OE1-CZ 3.01Å; E413-R417 IonicContact OE1-NE 3.12Å; E413-R417 PolarHBondContact OE1-NE 3.31Å; E413-R417 VanDerWaalsContact OE1-NE 3.12Å; E413-R417 IonicContact OE1-NH1 3.72Å; E413-R417 IonicContact OE1-NH2 2.62Å; E413-R417 PolarHBondContact OE1-NH2 3.37Å
414	D	83.4	Confident	84.3	Confident	44 Å²	44	82.6 Å²	82.6	24%	0.235	40%	0.397	C	S	.	.	H	α-helix	trans	-63.5	-39.4	173.1	-90.5	-9.7	0	0	0	112.4	Q410 Q411 R417 K418 G419	Q410-D414 WeakPolarHBondContact O-CB 3.37Å; Q410-D414 PolarHBondContact O-N 3.21Å; Q411-D414 PolarHBondContact O-N 2.63Å; D414-R417 PolarHBondContact O-N 3Å; D414-K418 HydrophobicContact CB-CD 4.36Å; D414-K418 WeakPolarHBondContact O-CA 3.13Å; D414-K418 VanDerWaalsContact O-CB 3.23Å; D414-K418 WeakPolarHBondContact O-CB 3.5Å; D414-K418 PolarHBondContact O-N 3.26Å; D414-K418 VanDerWaalsContact OD1-CE 3.29Å; D414-K418 WeakPolarHBondContact OD1-CE 3.13Å; D414-K418 IonicContact OD1-NZ 3.34Å; D414-K418 PolarHBondContact OD1-NZ 2.61Å; D414-K418 IonicContact OD2-NZ 3.93Å; D414-K418 PolarHBondContact OD2-NZ 3.44Å; D414-K418 VanDerWaalsContact OD2-NZ 3.15Å; D414-G419 PolarHBondContact O-N 2.82Å
415	I	83.2	Confident	84.4	Confident	66 Å²	66	83.5 Å²	83.5	34%	0.338	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-42.8	174.9	-70.1	161.4	0	0	0	110.6	L407 Q411 R412 G419	L407-I415 HydrophobicContact CD1-CD1 4.01Å; L407-I415 HydrophobicContact CD2-CD1 4.28Å; Q411-I415 WeakPolarHBondContact O-CB 3.29Å; Q411-I415 WeakPolarHBondContact O-CD1 3.47Å; Q411-I415 WeakPolarHBondContact O-CG1 3.25Å; Q411-I415 PolarHBondContact O-N 3.39Å; R412-I415 PolarHBondContact O-N 3Å; I415-G419 WeakPolarHBondContact O-CA 3.42Å; I415-G419 PolarHBondContact O-N 3.28Å
416	E	77.1	Confident	84.4	Confident	165 Å²	165	82.2 Å²	82.2	77%	0.771	40%	0.401	S	S	*	.	H	α-helix	trans	-67.2	-39.5	177.5	-73.1	179.2	-178.9	0	0	112.6	R412 E413	R412-E416 WeakPolarHBondContact O-CG 3.49Å; R412-E416 PolarHBondContact O-N 3.03Å; E413-E416 PolarHBondContact O-N 2.97Å
417	R	78.3	Confident	84.4	Confident	188 Å²	188	80 Å²	80	71%	0.709	38%	0.384	S	S	*	.	H	α-helix	trans	-85.7	-42.2	-175.9	-69.4	-179.3	-180	-153.7	1.7	113.9	E413 D414	E413-R417 HydrophobicContact CG-CG 4.33Å; E413-R417 VanDerWaalsContact O-CB 3.32Å; E413-R417 WeakPolarHBondContact O-CB 3.1Å; E413-R417 VanDerWaalsContact O-CG 3.29Å; E413-R417 WeakPolarHBondContact O-CG 3.19Å; E413-R417 PolarHBondContact O-N 3.23Å; E413-R417 IonicContact OE1-CZ 3.01Å; E413-R417 IonicContact OE1-NE 3.12Å; E413-R417 PolarHBondContact OE1-NE 3.31Å; E413-R417 VanDerWaalsContact OE1-NE 3.12Å; E413-R417 IonicContact OE1-NH1 3.72Å; E413-R417 IonicContact OE1-NH2 2.62Å; E413-R417 PolarHBondContact OE1-NH2 3.37Å; D414-R417 PolarHBondContact O-N 3Å
418	K	75.4	Confident	84.1	Confident	76 Å²	76	79.1 Å²	79.1	33%	0.33	38%	0.38	S	S	.	.	H	α-helix	trans	-106.5	-17.4	-172.6	-57.6	167.6	-179.2	157.8	0	112.7	I54 D414 Y420	I54-K418 WeakPolarHBondContact CG2-O 3.06Å; D414-K418 HydrophobicContact CB-CD 4.36Å; D414-K418 WeakPolarHBondContact O-CA 3.13Å; D414-K418 VanDerWaalsContact O-CB 3.23Å; D414-K418 WeakPolarHBondContact O-CB 3.5Å; D414-K418 PolarHBondContact O-N 3.26Å; D414-K418 VanDerWaalsContact OD1-CE 3.29Å; D414-K418 WeakPolarHBondContact OD1-CE 3.13Å; D414-K418 IonicContact OD1-NZ 3.34Å; D414-K418 PolarHBondContact OD1-NZ 2.61Å; D414-K418 IonicContact OD2-NZ 3.93Å; D414-K418 PolarHBondContact OD2-NZ 3.44Å; D414-K418 VanDerWaalsContact OD2-NZ 3.15Å; K418-Y420 HydrophobicContact CB-CD1 4.23Å; K418-Y420 HydrophobicContact CB-CE1 4.16Å; K418-Y420 WeakPolarHBondContact O-CD1 3Å; K418-Y420 PolarHBondContact O-N 2.96Å
419	G	75	Confident	83.8	Confident	39 Å²	39	79.6 Å²	79.6	40%	0.402	38%	0.383	S	S	.	.	S	Bend	trans	82.7	-7.2	-172.8	0	0	0	0	0	114.4	D414 I415	D414-G419 PolarHBondContact O-N 2.82Å; I415-G419 WeakPolarHBondContact O-CA 3.42Å; I415-G419 PolarHBondContact O-N 3.28Å
420	Y	83	Confident	83.6	Confident	41 Å²	41	77.9 Å²	77.9	16%	0.161	37%	0.365	C	S	.	.			trans	-152.1	155.9	179.3	69.5	-83.4	0	0	0	111.3	I54 K58 K418 Y422 L462	I54-Y420 HydrophobicContact CG2-CD1 3.65Å; I54-Y420 HydrophobicContact CG2-CE1 4.33Å; K58-Y420 HydrophobicContact CD-CE1 4.28Å; K58-Y420 PolarHBondContact NZ-OH 3.43Å; K418-Y420 HydrophobicContact CB-CD1 4.23Å; K418-Y420 HydrophobicContact CB-CE1 4.16Å; K418-Y420 WeakPolarHBondContact O-CD1 3Å; K418-Y420 PolarHBondContact O-N 2.96Å; Y420-Y422 HydrophobicContact CE2-CE2 4.28Å; Y420-Y422 AromaticContact CE2-CZ 3.96Å; Y420-L462 HydrophobicContact CE2-CD1 4.22Å
421	S	87.1	Confident	83.2	Confident	27 Å²	27	71.5 Å²	71.5	19%	0.189	34%	0.335	C	S	.	.			trans	-134.9	156.7	173	65.6	0	0	0	0	110.9
422	Y	87.1	Confident	82.7	Confident	47 Å²	47	71.5 Å²	71.5	18%	0.184	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-83.4	137.9	172.2	-61.3	-72.1	0	0	0	110.2	Q411 Y420 F450 K458 E459	Q411-Y422 PolarHBondContact NE2-O 3.29Å; Y420-Y422 HydrophobicContact CE2-CE2 4.28Å; Y420-Y422 AromaticContact CE2-CZ 3.96Å; Y422-F450 HydrophobicContact CD1-CZ 4.25Å; Y422-K458 HydrophobicContact CD1-CB 4.22Å; Y422-K458 HydrophobicContact CD1-CD 4.32Å; Y422-K458 HydrophobicContact CE1-CB 3.8Å; Y422-K458 HydrophobicContact CE2-CB 4.4Å; Y422-K458 HydrophobicContact CG-CD 4.37Å; Y422-E459 VanDerWaalsContact OH-CA 3.25Å; Y422-E459 WeakPolarHBondContact OH-CA 3.46Å; Y422-E459 PolarHBondContact OH-N 2.82Å
423	L	86.2	Confident	82.2	Confident	31 Å²	31	66.1 Å²	66.1	16%	0.162	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-79	142.5	177.3	-66.1	167.4	0	0	0	110.7	Q427 M428 L431	L423-Q427 HydrophobicContact CB-CB 4.17Å; L423-Q427 HydrophobicContact CD2-CB 4.03Å; L423-M428 HydrophobicContact CB-CE 3.71Å; L423-M428 HydrophobicContact CD1-CE 4Å; L423-M428 HydrophobicContact CD1-SD 4.25Å; L423-M428 HydrophobicContact CG-CE 4.46Å; L423-L431 HydrophobicContact CD1-CD1 3.64Å
424	N	86	Confident	81.6	Confident	66 Å²	66	74.1 Å²	74.1	35%	0.353	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-74.1	166.6	174.9	-68.8	-11	0	0	0	111.8	L408 E426 Q427 M428	L408-N424 WeakPolarHBondContact CD1-ND2 3.18Å; N424-E426 VanDerWaalsContact C-N 3.29Å; N424-E426 PolarHBondContact O-N 3.27Å; N424-Q427 HydrophobicContact CB-CG 4.34Å; N424-Q427 PolarHBondContact O-N 2.91Å; N424-M428 WeakPolarHBondContact O-CB 3.33Å; N424-M428 PolarHBondContact O-N 3.49Å
425	K	85.5	Confident	81	Confident	144 Å²	144	79.3 Å²	79.3	63%	0.626	37%	0.374	S	S	*	.	H	α-helix	trans	-52.3	-45.8	176.8	-176	173.8	-178.5	-179	0	112.3	M428 N429 L451	K425-M428 PolarHBondContact O-N 3Å; K425-N429 WeakPolarHBondContact O-CB 3.24Å; K425-N429 PolarHBondContact O-N 2.94Å; K425-N429 PolarHBondContact O-ND2 3.24Å; K425-L451 HydrophobicContact CB-CD1 4.42Å; K425-L451 HydrophobicContact CB-CD2 4.17Å; K425-L451 HydrophobicContact CG-CD1 3.98Å
426	E	84.7	Confident	80.5	Confident	162 Å²	162	77.3 Å²	77.3	76%	0.757	36%	0.364	S	S	*	.	H	α-helix	trans	-64.2	-46.3	178.5	-65.6	176	-175.6	0	0	112.5	N424 M428 N429 F430	N424-E426 VanDerWaalsContact C-N 3.29Å; N424-E426 PolarHBondContact O-N 3.27Å; E426-M428 VanDerWaalsContact C-N 3.31Å; E426-M428 PolarHBondContact O-N 3.04Å; E426-N429 PolarHBondContact O-N 3.45Å; E426-F430 WeakPolarHBondContact O-CB 3.26Å; E426-F430 PolarHBondContact O-N 3.29Å
427	Q	87.1	Confident	80.1	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-65.6	-35.9	178.2	-63.5	168.3	-17.1	0	0	111.6	S406 L423 N424 F430 L431	S406-Q427 PolarHBondContact O-NE2 2.72Å; L423-Q427 HydrophobicContact CB-CB 4.17Å; L423-Q427 HydrophobicContact CD2-CB 4.03Å; N424-Q427 HydrophobicContact CB-CG 4.34Å; N424-Q427 PolarHBondContact O-N 2.91Å; Q427-F430 WeakPolarHBondContact O-CB 3.45Å; Q427-F430 PolarHBondContact O-N 3.32Å; Q427-L431 PolarHBondContact O-N 3.24Å; Q427-L431 VanDerWaalsContact O-N 3.12Å
428	M	82.1	Confident	79.7	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.059	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-41.1	176.3	-161.7	63.6	74	0	0	111.4	L423 N424 K425 E426 F430 L431 Y432 F450	L423-M428 HydrophobicContact CB-CE 3.71Å; L423-M428 HydrophobicContact CD1-CE 4Å; L423-M428 HydrophobicContact CD1-SD 4.25Å; L423-M428 HydrophobicContact CG-CE 4.46Å; N424-M428 WeakPolarHBondContact O-CB 3.33Å; N424-M428 PolarHBondContact O-N 3.49Å; K425-M428 PolarHBondContact O-N 3Å; E426-M428 VanDerWaalsContact C-N 3.31Å; E426-M428 PolarHBondContact O-N 3.04Å; M428-F430 VanDerWaalsContact C-N 3.3Å; M428-L431 PolarHBondContact O-N 2.96Å; M428-Y432 HydrophobicContact CG-CD2 4.15Å; M428-Y432 PolarHBondContact O-N 2.87Å; M428-Y432 HydrophobicContact SD-CD2 3.37Å; M428-Y432 WeakPolarHBondContact SD-CD2 2.98Å; M428-Y432 HydrophobicContact SD-CE2 3.45Å; M428-Y432 WeakPolarHBondContact SD-CE2 3.5Å; M428-F450 HydrophobicContact CE-CD1 4.37Å; M428-F450 HydrophobicContact CE-CE1 4.05Å
429	N	83.4	Confident	79.4	Confident	81 Å²	81	67.6 Å²	67.6	43%	0.433	34%	0.336	S	S	.	.	H	α-helix	trans	-66.8	-31.7	173.2	-73.7	-12.3	0	0	0	111.8	K425 E426 G433	K425-N429 WeakPolarHBondContact O-CB 3.24Å; K425-N429 PolarHBondContact O-N 2.94Å; K425-N429 PolarHBondContact O-ND2 3.24Å; E426-N429 PolarHBondContact O-N 3.45Å; N429-G433 WeakPolarHBondContact O-CA 3.11Å; N429-G433 PolarHBondContact O-N 3.3Å
430	F	83.4	Confident	79.1	Confident	68 Å²	68	66.8 Å²	66.8	30%	0.298	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-41.4	173	179.2	-102.5	0	0	0	112.3	K402 L403 E426 Q427 M428	K402-F430 HydrophobicContact CB-CZ 4.11Å; K402-F430 HydrophobicContact CD-CZ 4.48Å; L403-F430 HydrophobicContact CB-CE1 4.25Å; L403-F430 HydrophobicContact CD1-CD1 4.43Å; E426-F430 WeakPolarHBondContact O-CB 3.26Å; E426-F430 PolarHBondContact O-N 3.29Å; Q427-F430 WeakPolarHBondContact O-CB 3.45Å; Q427-F430 PolarHBondContact O-N 3.32Å; M428-F430 VanDerWaalsContact C-N 3.3Å
431	L	78.7	Confident	78.2	Confident	12 Å²	12	70.2 Å²	70.2	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-81.9	-38.3	-178.9	-73.8	-177.4	0	0	0	114.5	Q4 L403 L423 Q427 M428 N436 F438	Q4-L431 PolarHBondContact NE2-O 3Å; L403-L431 HydrophobicContact CD1-CD1 3.59Å; L403-L431 HydrophobicContact CD1-CD2 3.56Å; L403-L431 HydrophobicContact CD1-CG 3.58Å; L423-L431 HydrophobicContact CD1-CD1 3.64Å; Q427-L431 PolarHBondContact O-N 3.24Å; Q427-L431 VanDerWaalsContact O-N 3.12Å; M428-L431 PolarHBondContact O-N 2.96Å; L431-N436 WeakPolarHBondContact O-CB 3.37Å; L431-N436 PolarHBondContact O-ND2 2.81Å; L431-F438 HydrophobicContact CD2-CD2 4.43Å; L431-F438 HydrophobicContact CD2-CE2 3.9Å
432	Y	77.9	Confident	77.2	Confident	10 Å²	10	75.5 Å²	75.5	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-124.1	5.4	-172.1	-56.5	-79.6	0	0	0	113.6	L3 Q4 M428 V443 K447	L3-Y432 HydrophobicContact CB-CE1 4.23Å; Q4-Y432 HydrophobicContact CG-CD1 4.16Å; Q4-Y432 HydrophobicContact CG-CE1 3.74Å; M428-Y432 HydrophobicContact CG-CD2 4.15Å; M428-Y432 PolarHBondContact O-N 2.87Å; M428-Y432 HydrophobicContact SD-CD2 3.37Å; M428-Y432 WeakPolarHBondContact SD-CD2 2.98Å; M428-Y432 HydrophobicContact SD-CE2 3.45Å; M428-Y432 WeakPolarHBondContact SD-CE2 3.5Å; Y432-V443 HydrophobicContact CD1-CG2 3.62Å; Y432-V443 HydrophobicContact CE1-CG2 4.27Å; Y432-V443 HydrophobicContact CG-CG2 4.13Å; Y432-K447 PolarHBondContact O-NZ 2.96Å
433	G	76	Confident	76.3	Confident	18 Å²	18	74.4 Å²	74.4	19%	0.186	37%	0.366	C	S	.	.	S	Bend	trans	-75.7	-174.8	175.5	0	0	0	0	0	112.8	N429 N435 N436	N429-G433 WeakPolarHBondContact O-CA 3.11Å; N429-G433 PolarHBondContact O-N 3.3Å; G433-N435 PolarHBondContact O-N 3.31Å; G433-N436 PolarHBondContact O-N 3.01Å
434	R	72.6	Confident	75.4	Confident	252 Å²	252	77.6 Å²	77.6	95%	0.951	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.7	180	-67.6	-178.1	179.9	172.9	-0.1	112.7	N436	R434-N436 PolarHBondContact O-N 3.34Å
435	N	70.4	Confident	74.8	Confident	152 Å²	152	77.2 Å²	77.2	81%	0.813	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	40	-177.8	-62.1	-0.2	0	0	0	112.1	G433	G433-N435 PolarHBondContact O-N 3.31Å
436	N	73.8	Confident	74.5	Confident	24 Å²	24	76 Å²	76	13%	0.128	38%	0.384	C	S	.	.			trans	-80	136	-177.8	63.9	8.4	0	0	0	112.8	Q4 L431 G433 R434 F438 N439 V440	Q4-N436 PolarHBondContact NE2-ND2 3.34Å; L431-N436 WeakPolarHBondContact O-CB 3.37Å; L431-N436 PolarHBondContact O-ND2 2.81Å; G433-N436 PolarHBondContact O-N 3.01Å; R434-N436 PolarHBondContact O-N 3.34Å; N436-F438 PolarHBondContact O-N 2.99Å; N436-F438 VanDerWaalsContact O-N 3.13Å; N436-N439 PolarHBondContact O-N 3.41Å; N436-N439 WeakPolarHBondContact OD1-CA 3.43Å; N436-N439 PolarHBondContact OD1-N 2.9Å; N436-N439 VanDerWaalsContact OD1-N 3.13Å; N436-V440 PolarHBondContact ND2-N 2.82Å; N436-V440 PolarHBondContact ND2-O 2.89Å; N436-V440 PolarHBondContact OD1-N 2.78Å
437	P	69.2	Low	74.1	Confident	45 Å²	45	71.3 Å²	71.3	29%	0.292	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.2	-179.8	25.7	-31.9	0	0	0	113.5	S399	S399-P437 VanDerWaalsContact OG-CB 3.27Å; S399-P437 WeakPolarHBondContact OG-CB 3.01Å; S399-P437 WeakPolarHBondContact OG-CG 3.24Å
438	F	68.2	Low	73.6	Confident	55 Å²	55	79.1 Å²	79.1	24%	0.241	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	0.1	-173.6	-57.6	-70.2	0	0	0	114.1	Q4 I396 F400 L431 N436 V440	Q4-F438 VanDerWaalsContact CD-CB 3.47Å; Q4-F438 VanDerWaalsContact OE1-CD2 3.22Å; Q4-F438 VanDerWaalsContact OE1-CG 3.24Å; I396-F438 HydrophobicContact CB-CE1 4.3Å; I396-F438 HydrophobicContact CG1-CD1 4.24Å; I396-F438 HydrophobicContact CG1-CE1 3.83Å; I396-F438 HydrophobicContact CG2-CE1 3.85Å; I396-F438 HydrophobicContact CG2-CZ 4.41Å; F400-F438 HydrophobicContact CD2-CZ 4.26Å; F400-F438 HydrophobicContact CE2-CE1 4.08Å; F400-F438 AromaticContact CE2-CZ 3.73Å; F400-F438 HydrophobicContact CE2-CZ 3.73Å; F400-F438 AromaticContact CZ-CZ 3.98Å; F400-F438 HydrophobicContact CZ-CZ 3.98Å; L431-F438 HydrophobicContact CD2-CD2 4.43Å; L431-F438 HydrophobicContact CD2-CE2 3.9Å; N436-F438 PolarHBondContact O-N 2.99Å; N436-F438 VanDerWaalsContact O-N 3.13Å; F438-V440 PolarHBondContact O-N 2.89Å
439	N	70.8	Confident	73.6	Confident	126 Å²	126	85.1 Å²	85.1	67%	0.674	42%	0.424	S	S	*	.			trans	50.5	50.9	178.7	-165	11.1	0	0	0	114.8	N436	N436-N439 PolarHBondContact O-N 3.41Å; N436-N439 WeakPolarHBondContact OD1-CA 3.43Å; N436-N439 PolarHBondContact OD1-N 2.9Å; N436-N439 VanDerWaalsContact OD1-N 3.13Å
440	V	67.7	Low	73.5	Confident	22 Å²	22	83.7 Å²	83.7	13%	0.133	41%	0.413	C	S	.	.			trans	-105.6	114.2	169.4	-177.5	0	0	0	0	112.6	Q4 N436 F438 K442	Q4-V440 HydrophobicContact CB-CB 4.09Å; Q4-V440 HydrophobicContact CB-CG1 4.47Å; Q4-V440 HydrophobicContact CB-CG2 3.26Å; Q4-V440 HydrophobicContact CG-CB 3.34Å; Q4-V440 HydrophobicContact CG-CG1 3.83Å; Q4-V440 HydrophobicContact CG-CG2 3.07Å; N436-V440 PolarHBondContact ND2-N 2.82Å; N436-V440 PolarHBondContact ND2-O 2.89Å; N436-V440 PolarHBondContact OD1-N 2.78Å; F438-V440 PolarHBondContact O-N 2.89Å; V440-K442 WeakPolarHBondContact CG1-O 3.38Å
441	T	65.3	Low	73.4	Confident	113 Å²	113	82.6 Å²	82.6	69%	0.693	41%	0.41	S	S	*	.			trans	-93	-25.9	-179.7	51.3	0	0	0	0	111.9
442	K	65.9	Low	73.6	Confident	137 Å²	137	86.5 Å²	86.5	60%	0.596	44%	0.439	S	S	*	.			trans	-114.9	111.6	-178.1	-56.1	-150.1	-170	-175.3	0	111.1	K7 V440	K7-K442 HydrophobicContact CD-CB 4.38Å; K7-K442 VanDerWaalsContact NZ-CE 3.28Å; V440-K442 WeakPolarHBondContact CG1-O 3.38Å
443	V	67	Low	73.8	Confident	25 Å²	25	88.2 Å²	88.2	15%	0.152	45%	0.448	C	S	.	.			trans	-109.2	128.6	172.4	-174.1	0	0	0	0	106.7	Y432 F445	Y432-V443 HydrophobicContact CD1-CG2 3.62Å; Y432-V443 HydrophobicContact CE1-CG2 4.27Å; Y432-V443 HydrophobicContact CG-CG2 4.13Å; V443-F445 HydrophobicContact CB-CE1 4.48Å; V443-F445 HydrophobicContact CG1-CD1 3.23Å; V443-F445 HydrophobicContact CG1-CD2 4.44Å; V443-F445 HydrophobicContact CG1-CE1 2.99Å; V443-F445 HydrophobicContact CG1-CE2 4.28Å; V443-F445 HydrophobicContact CG1-CG 3.97Å; V443-F445 HydrophobicContact CG1-CZ 3.59Å; V443-F445 PolarHBondContact O-N 3.39Å
444	P	68.5	Low	74.3	Confident	98 Å²	98	89.4 Å²	89.4	64%	0.636	45%	0.454	S	S	*	.	S	Bend	trans	-80.3	29.1	-174.8	35.7	-38.1	0	0	0	112.9	L3	L3-P444 HydrophobicContact CD2-CG 3.27Å
445	F	73.1	Confident	74.8	Confident	58 Å²	58	81.9 Å²	81.9	25%	0.254	44%	0.438	S	S	.	.	S	Bend	trans	-149.2	150.7	174.5	70.9	-94.3	0	0	0	110.8	L3 V443 K447 F450	L3-F445 HydrophobicContact CD1-CD1 3.68Å; L3-F445 HydrophobicContact CD1-CE1 3.36Å; V443-F445 HydrophobicContact CB-CE1 4.48Å; V443-F445 HydrophobicContact CG1-CD1 3.23Å; V443-F445 HydrophobicContact CG1-CD2 4.44Å; V443-F445 HydrophobicContact CG1-CE1 2.99Å; V443-F445 HydrophobicContact CG1-CE2 4.28Å; V443-F445 HydrophobicContact CG1-CG 3.97Å; V443-F445 HydrophobicContact CG1-CZ 3.59Å; V443-F445 PolarHBondContact O-N 3.39Å; F445-K447 HydrophobicContact CE2-CG 4.31Å; F445-K447 PolarHBondContact O-N 2.92Å; F445-F450 HydrophobicContact CD2-CB 3.97Å; F445-F450 HydrophobicContact CD2-CG 4.43Å; F445-F450 HydrophobicContact CE2-CB 3.97Å; F445-F450 HydrophobicContact CE2-CD1 4.43Å; F445-F450 HydrophobicContact CE2-CG 4.18Å
446	D	79	Confident	75.3	Confident	117 Å²	117	76.8 Å²	76.8	63%	0.626	42%	0.416	S	S	*	.			trans	-74.5	112.4	177.7	-61.8	-31.2	0	0	0	110.4	E448 K449 F450	D446-E448 VanDerWaalsContact C-N 3.34Å; D446-E448 PolarHBondContact O-N 2.86Å; D446-K449 HydrophobicContact CB-CB 3.82Å; D446-K449 PolarHBondContact O-N 3.33Å; D446-F450 PolarHBondContact O-N 2.7Å
447	K	75.2	Confident	75.9	Confident	65 Å²	65	79.3 Å²	79.3	28%	0.283	43%	0.428	S	S	.	.	H	α-helix	trans	-60.7	-42.8	-175.7	-66	175.8	-173.2	166.6	0	112.2	Y432 F445 F450 L451	Y432-K447 PolarHBondContact O-NZ 2.96Å; F445-K447 HydrophobicContact CE2-CG 4.31Å; F445-K447 PolarHBondContact O-N 2.92Å; K447-F450 PolarHBondContact O-N 3.48Å; K447-L451 VanDerWaalsContact O-CG 3.27Å; K447-L451 WeakPolarHBondContact O-CG 3.38Å; K447-L451 PolarHBondContact O-N 2.95Å
448	E	77.7	Confident	76.7	Confident	171 Å²	171	78.6 Å²	78.6	80%	0.799	42%	0.42	S	S	*	.	H	α-helix	trans	-67.9	-43.9	-177	-64	-178.7	176.2	0	0	111.2	D446 F450 L451 S452	D446-E448 VanDerWaalsContact C-N 3.34Å; D446-E448 PolarHBondContact O-N 2.86Å; E448-F450 VanDerWaalsContact C-N 3.34Å; E448-F450 PolarHBondContact O-N 2.93Å; E448-L451 PolarHBondContact O-N 2.48Å; E448-S452 PolarHBondContact O-N 3.01Å; E448-S452 PolarHBondContact O-OG 2.97Å
449	K	82.1	Confident	77.4	Confident	139 Å²	139	78.7 Å²	78.7	60%	0.604	42%	0.421	S	S	*	.	H	α-helix	trans	-60.4	-43.2	173.3	-168.8	177	-177.7	176	0	111.4	D446 L451 S452 L453	D446-K449 HydrophobicContact CB-CB 3.82Å; D446-K449 PolarHBondContact O-N 3.33Å; K449-L451 VanDerWaalsContact C-N 3.33Å; K449-L451 PolarHBondContact O-N 3.36Å; K449-S452 PolarHBondContact O-N 3.08Å; K449-S452 PolarHBondContact O-OG 3.02Å; K449-L453 WeakPolarHBondContact O-CG 3.37Å
450	F	81.7	Confident	78.1	Confident	50 Å²	50	77.9 Å²	77.9	22%	0.219	41%	0.409	C	S	.	.	H	α-helix	trans	-66	-35.5	177.7	-176.2	-97.9	0	0	0	112.5	Y422 M428 F445 D446 K447 E448 K458	Y422-F450 HydrophobicContact CD1-CZ 4.25Å; M428-F450 HydrophobicContact CE-CD1 4.37Å; M428-F450 HydrophobicContact CE-CE1 4.05Å; F445-F450 HydrophobicContact CD2-CB 3.97Å; F445-F450 HydrophobicContact CD2-CG 4.43Å; F445-F450 HydrophobicContact CE2-CB 3.97Å; F445-F450 HydrophobicContact CE2-CD1 4.43Å; F445-F450 HydrophobicContact CE2-CG 4.18Å; D446-F450 PolarHBondContact O-N 2.7Å; K447-F450 PolarHBondContact O-N 3.48Å; E448-F450 VanDerWaalsContact C-N 3.34Å; E448-F450 PolarHBondContact O-N 2.93Å; F450-K458 HydrophobicContact CE1-CD 4.49Å; F450-K458 HydrophobicContact CE2-CG 4.2Å; F450-K458 HydrophobicContact CZ-CD 4.26Å; F450-K458 HydrophobicContact CZ-CG 4.27Å; F450-K458 WeakPolarHBondContact O-CE 3.47Å
451	L	79.9	Confident	78.8	Confident	45 Å²	45	78.9 Å²	78.9	24%	0.236	42%	0.419	C	S	.	.	H	α-helix	trans	-72.6	-33	-179.6	-73.3	170.4	0	0	0	112.9	K425 K447 E448 K449 L453	K425-L451 HydrophobicContact CB-CD1 4.42Å; K425-L451 HydrophobicContact CB-CD2 4.17Å; K425-L451 HydrophobicContact CG-CD1 3.98Å; K447-L451 VanDerWaalsContact O-CG 3.27Å; K447-L451 WeakPolarHBondContact O-CG 3.38Å; K447-L451 PolarHBondContact O-N 2.95Å; E448-L451 PolarHBondContact O-N 2.48Å; K449-L451 VanDerWaalsContact C-N 3.33Å; K449-L451 PolarHBondContact O-N 3.36Å; L451-L453 VanDerWaalsContact C-N 3.32Å
452	S	84.4	Confident	79.8	Confident	94 Å²	94	75.6 Å²	75.6	66%	0.657	40%	0.397	S	S	*	.	H	α-helix	trans	-73.7	-18.9	178.8	62	0	0	0	0	114.2	E448 K449	E448-S452 PolarHBondContact O-N 3.01Å; E448-S452 PolarHBondContact O-OG 2.97Å; K449-S452 PolarHBondContact O-N 3.08Å; K449-S452 PolarHBondContact O-OG 3.02Å
453	L	82.1	Confident	80.7	Confident	46 Å²	46	69.5 Å²	69.5	24%	0.241	37%	0.371	C	S	.	.	S	Bend	trans	-67.2	138.2	179.7	-65.9	172.1	0	0	0	112.5	K449 L451 E457 K458	K449-L453 WeakPolarHBondContact O-CG 3.37Å; L451-L453 VanDerWaalsContact C-N 3.32Å; L453-E457 WeakPolarHBondContact CA-OE2 3.43Å; L453-E457 HydrophobicContact CB-CB 3.94Å; L453-E457 HydrophobicContact CD2-CB 3.97Å; L453-E457 HydrophobicContact CD2-CG 4.45Å; L453-E457 VanDerWaalsContact CD2-OE2 3.22Å; L453-E457 WeakPolarHBondContact CD2-OE2 3.48Å; L453-E457 HydrophobicContact CG-CB 4.37Å; L453-K458 HydrophobicContact CB-CG 3.76Å; L453-K458 HydrophobicContact CD1-CG 4.5Å; L453-K458 WeakPolarHBondContact O-CE 3.38Å; L453-K458 PolarHBondContact O-NZ 3.03Å; L453-K458 VanDerWaalsContact O-NZ 3.13Å
454	S	86.1	Confident	81.5	Confident	43 Å²	43	72 Å²	72	30%	0.301	38%	0.383	S	S	.	.			trans	-61	154.4	169.8	73.4	0	0	0	0	110.7	A456 E457 K458	S454-A456 PolarHBondContact O-N 3.11Å; S454-A456 VanDerWaalsContact O-N 3.16Å; S454-E457 WeakPolarHBondContact CB-OE1 3.47Å; S454-E457 PolarHBondContact N-OE2 3.15Å; S454-E457 WeakPolarHBondContact O-CB 3.49Å; S454-E457 PolarHBondContact O-N 2.92Å; S454-E457 VanDerWaalsContact OG-CG 3.27Å; S454-E457 WeakPolarHBondContact OG-CG 3.48Å; S454-E457 PolarHBondContact OG-N 3.24Å; S454-E457 PolarHBondContact OG-OE1 2.77Å; S454-K458 WeakPolarHBondContact O-CG 3.24Å; S454-K458 PolarHBondContact O-N 2.98Å
455	P	82.6	Confident	82.2	Confident	95 Å²	95	73 Å²	73	62%	0.617	38%	0.38	S	S	*	.	H	α-helix	trans	-57.5	-31.7	179.4	21.9	-32.8	0	0	0	112.8	E459	P455-E459 PolarHBondContact O-N 2.86Å; P455-E459 VanDerWaalsContact O-N 3.13Å
456	A	81.3	Confident	82.7	Confident	44 Å²	44	70.7 Å²	70.7	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-70.4	-39.8	174.6	0	0	0	0	0	112.4	S454 E459 R460	S454-A456 PolarHBondContact O-N 3.11Å; S454-A456 VanDerWaalsContact O-N 3.16Å; A456-E459 PolarHBondContact O-N 3.34Å; A456-R460 WeakPolarHBondContact O-CG 3.48Å; A456-R460 PolarHBondContact O-N 3.34Å
457	E	86.3	Confident	82.9	Confident	77 Å²	77	66.8 Å²	66.8	36%	0.36	35%	0.354	S	S	.	.	H	α-helix	trans	-66.5	-39.6	173.7	-76.6	151.8	-136	0	0	112.3	L453 S454 E459 R460 A461	L453-E457 WeakPolarHBondContact CA-OE2 3.43Å; L453-E457 HydrophobicContact CB-CB 3.94Å; L453-E457 HydrophobicContact CD2-CB 3.97Å; L453-E457 HydrophobicContact CD2-CG 4.45Å; L453-E457 VanDerWaalsContact CD2-OE2 3.22Å; L453-E457 WeakPolarHBondContact CD2-OE2 3.48Å; L453-E457 HydrophobicContact CG-CB 4.37Å; S454-E457 WeakPolarHBondContact CB-OE1 3.47Å; S454-E457 PolarHBondContact N-OE2 3.15Å; S454-E457 WeakPolarHBondContact O-CB 3.49Å; S454-E457 PolarHBondContact O-N 2.92Å; S454-E457 VanDerWaalsContact OG-CG 3.27Å; S454-E457 WeakPolarHBondContact OG-CG 3.48Å; S454-E457 PolarHBondContact OG-N 3.24Å; S454-E457 PolarHBondContact OG-OE1 2.77Å; E457-E459 PolarHBondContact O-N 2.79Å; E457-R460 PolarHBondContact O-N 3.19Å; E457-A461 WeakPolarHBondContact O-CB 3.22Å; E457-A461 PolarHBondContact O-N 3.06Å
458	K	85.7	Confident	83.3	Confident	31 Å²	31	65.8 Å²	65.8	14%	0.135	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-37.3	173.4	-72	173.5	175.5	152.2	0	111.6	Y422 F450 L453 S454 L462	Y422-K458 HydrophobicContact CD1-CB 4.22Å; Y422-K458 HydrophobicContact CD1-CD 4.32Å; Y422-K458 HydrophobicContact CE1-CB 3.8Å; Y422-K458 HydrophobicContact CE2-CB 4.4Å; Y422-K458 HydrophobicContact CG-CD 4.37Å; F450-K458 HydrophobicContact CE1-CD 4.49Å; F450-K458 HydrophobicContact CE2-CG 4.2Å; F450-K458 HydrophobicContact CZ-CD 4.26Å; F450-K458 HydrophobicContact CZ-CG 4.27Å; F450-K458 WeakPolarHBondContact O-CE 3.47Å; L453-K458 HydrophobicContact CB-CG 3.76Å; L453-K458 HydrophobicContact CD1-CG 4.5Å; L453-K458 WeakPolarHBondContact O-CE 3.38Å; L453-K458 PolarHBondContact O-NZ 3.03Å; L453-K458 VanDerWaalsContact O-NZ 3.13Å; S454-K458 WeakPolarHBondContact O-CG 3.24Å; S454-K458 PolarHBondContact O-N 2.98Å; K458-L462 WeakPolarHBondContact O-CB 3.44Å; K458-L462 PolarHBondContact O-N 3.03Å; K458-L462 VanDerWaalsContact O-N 3.12Å
459	E	83.4	Confident	83.6	Confident	56 Å²	56	59.6 Å²	59.6	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-44.9	174.9	-172.1	165	171.8	0	0	111.8	K58 Y422 P455 A456 E457 A461 L462 L463	K58-E459 VanDerWaalsContact CE-OE1 3.3Å; K58-E459 WeakPolarHBondContact CE-OE1 3.37Å; K58-E459 IonicContact NZ-OE1 2.66Å; K58-E459 PolarHBondContact NZ-OE1 3.26Å; K58-E459 IonicContact NZ-OE2 3.95Å; K58-E459 PolarHBondContact NZ-OE2 3.03Å; Y422-E459 VanDerWaalsContact OH-CA 3.25Å; Y422-E459 WeakPolarHBondContact OH-CA 3.46Å; Y422-E459 PolarHBondContact OH-N 2.82Å; P455-E459 PolarHBondContact O-N 2.86Å; P455-E459 VanDerWaalsContact O-N 3.13Å; A456-E459 PolarHBondContact O-N 3.34Å; E457-E459 PolarHBondContact O-N 2.79Å; E459-A461 PolarHBondContact O-N 3.03Å; E459-L462 WeakPolarHBondContact O-CB 3.38Å; E459-L462 PolarHBondContact O-N 2.99Å; E459-L463 WeakPolarHBondContact O-CG 3.38Å; E459-L463 PolarHBondContact O-N 3.44Å
460	R	84.3	Confident	83.3	Confident	110 Å²	110	53.6 Å²	53.6	42%	0.415	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-46	175.2	-69.2	178.1	-169.4	141.2	3.5	112.2	A456 E457 L462 L463 D464	A456-R460 WeakPolarHBondContact O-CG 3.48Å; A456-R460 PolarHBondContact O-N 3.34Å; E457-R460 PolarHBondContact O-N 3.19Å; R460-L462 VanDerWaalsContact C-N 3.27Å; R460-L462 PolarHBondContact O-N 3.31Å; R460-L463 PolarHBondContact O-N 3.04Å; R460-L463 VanDerWaalsContact O-N 3.11Å; R460-D464 PolarHBondContact O-N 3.01Å
461	A	83.7	Confident	82.9	Confident	43 Å²	43	56.4 Å²	56.4	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-36.6	177.8	0	0	0	0	0	112.4	E457 E459 H465	E457-A461 WeakPolarHBondContact O-CB 3.22Å; E457-A461 PolarHBondContact O-N 3.06Å; E459-A461 PolarHBondContact O-N 3.03Å; A461-H465 WeakPolarHBondContact O-CB 3.38Å; A461-H465 PolarHBondContact O-N 3.18Å
462	L	85.2	Confident	82.4	Confident	44 Å²	44	61 Å²	61	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-64.3	-47.1	173.7	-179	158.4	0	0	0	111.1	V55 Y420 K458 E459 R460 D464 H465 V466	V55-L462 HydrophobicContact CG1-CD2 4.22Å; V55-L462 HydrophobicContact CG2-CD2 3.71Å; Y420-L462 HydrophobicContact CE2-CD1 4.22Å; K458-L462 WeakPolarHBondContact O-CB 3.44Å; K458-L462 PolarHBondContact O-N 3.03Å; K458-L462 VanDerWaalsContact O-N 3.12Å; E459-L462 WeakPolarHBondContact O-CB 3.38Å; E459-L462 PolarHBondContact O-N 2.99Å; R460-L462 VanDerWaalsContact C-N 3.27Å; R460-L462 PolarHBondContact O-N 3.31Å; L462-D464 VanDerWaalsContact C-N 3.33Å; L462-D464 PolarHBondContact O-N 3.1Å; L462-H465 PolarHBondContact O-N 2.68Å; L462-V466 HydrophobicContact CD2-CG2 4.29Å; L462-V466 WeakPolarHBondContact O-CG2 3.23Å; L462-V466 PolarHBondContact O-N 2.8Å
463	L	84.4	Confident	81.1	Confident	9 Å²	9	63.5 Å²	63.5	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-39.5	179	-62.4	172.2	0	0	0	111.7	V55 L92 M95 E459 R460 V466 A467	V55-L463 HydrophobicContact CG1-CD2 4.12Å; L92-L463 HydrophobicContact CD2-CD2 3.57Å; M95-L463 HydrophobicContact CB-CD1 4.09Å; M95-L463 HydrophobicContact SD-CD2 3.98Å; E459-L463 WeakPolarHBondContact O-CG 3.38Å; E459-L463 PolarHBondContact O-N 3.44Å; R460-L463 PolarHBondContact O-N 3.04Å; R460-L463 VanDerWaalsContact O-N 3.11Å; L463-V466 PolarHBondContact O-N 3.41Å; L463-A467 PolarHBondContact O-N 3.41Å
464	D	84.9	Confident	79.4	Confident	76 Å²	76	66.9 Å²	66.9	41%	0.406	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-38.1	175.8	-71.6	-23.3	0	0	0	112	K96 R460 L462 A467 S468	K96-D464 WeakPolarHBondContact CE-OD1 3.48Å; K96-D464 IonicContact NZ-OD1 3.15Å; K96-D464 PolarHBondContact NZ-OD1 3.38Å; R460-D464 PolarHBondContact O-N 3.01Å; L462-D464 VanDerWaalsContact C-N 3.33Å; L462-D464 PolarHBondContact O-N 3.1Å; D464-A467 WeakPolarHBondContact O-CB 3.38Å; D464-A467 PolarHBondContact O-N 3.16Å; D464-S468 PolarHBondContact O-N 3.23Å
465	H	83.4	Confident	77.1	Confident	121 Å²	121	71.3 Å²	71.3	56%	0.56	39%	0.385	S	S	*	.	H	α-helix	trans	-64.9	-41.7	174.9	-171.1	54.9	0	0	0	111.9	A461 L462 A467 S468 I469	A461-H465 WeakPolarHBondContact O-CB 3.38Å; A461-H465 PolarHBondContact O-N 3.18Å; L462-H465 PolarHBondContact O-N 2.68Å; H465-A467 VanDerWaalsContact C-N 3.29Å; H465-A467 PolarHBondContact O-N 3.16Å; H465-S468 PolarHBondContact O-N 3.09Å; H465-S468 VanDerWaalsContact O-N 3.15Å; H465-S468 PolarHBondContact O-OG 2.83Å; H465-I469 WeakPolarHBondContact O-CG1 3.37Å; H465-I469 PolarHBondContact O-N 3Å; H465-I469 VanDerWaalsContact O-N 3.1Å
466	V	83.3	Confident	75.1	Confident	9 Å²	9	77.1 Å²	77.1	6%	0.055	40%	0.396	C	S	.	.	H	α-helix	trans	-62.8	-39.1	174.5	178.3	0	0	0	0	111	L52 L88 L92 L462 L463 S468 I469 A470	L52-V466 HydrophobicContact CD2-CB 4.4Å; L52-V466 HydrophobicContact CD2-CG1 3.61Å; L52-V466 HydrophobicContact CD2-CG2 3.99Å; L88-V466 HydrophobicContact CD2-CG1 3.92Å; L92-V466 HydrophobicContact CD1-CB 4.25Å; L92-V466 HydrophobicContact CD1-CG1 3.97Å; L462-V466 HydrophobicContact CD2-CG2 4.29Å; L462-V466 WeakPolarHBondContact O-CG2 3.23Å; L462-V466 PolarHBondContact O-N 2.8Å; L463-V466 PolarHBondContact O-N 3.41Å; V466-S468 VanDerWaalsContact C-N 3.34Å; V466-S468 PolarHBondContact O-N 2.88Å; V466-I469 PolarHBondContact O-N 2.94Å; V466-A470 PolarHBondContact O-N 3.47Å
467	A	84	Confident	72.8	Confident	34 Å²	34	79.8 Å²	79.8	28%	0.281	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-37.2	173.8	0	0	0	0	0	112.5	L92 L463 D464 H465 I469 A470	L92-A467 HydrophobicContact CD1-CB 4.19Å; L463-A467 PolarHBondContact O-N 3.41Å; D464-A467 WeakPolarHBondContact O-CB 3.38Å; D464-A467 PolarHBondContact O-N 3.16Å; H465-A467 VanDerWaalsContact C-N 3.29Å; H465-A467 PolarHBondContact O-N 3.16Å; A467-I469 VanDerWaalsContact C-N 3.34Å; A467-I469 PolarHBondContact O-N 2.8Å; A467-A470 WeakPolarHBondContact O-CB 3.03Å; A467-A470 PolarHBondContact O-N 2.95Å
468	S	83.8	Confident	70.5	Confident	45 Å²	45	79.4 Å²	79.4	32%	0.315	40%	0.403	S	S	.	.	H	α-helix	trans	-68.9	-28.7	175.4	71.3	0	0	0	0	114	D464 H465 V466 A470 T471	D464-S468 PolarHBondContact O-N 3.23Å; H465-S468 PolarHBondContact O-N 3.09Å; H465-S468 VanDerWaalsContact O-N 3.15Å; H465-S468 PolarHBondContact O-OG 2.83Å; V466-S468 VanDerWaalsContact C-N 3.34Å; V466-S468 PolarHBondContact O-N 2.88Å; S468-A470 VanDerWaalsContact C-N 3.29Å; S468-T471 PolarHBondContact O-N 2.68Å; S468-T471 PolarHBondContact O-OG1 2.78Å
469	I	82.3	Confident	68.1	Low	40 Å²	40	81.5 Å²	81.5	21%	0.205	42%	0.419	C	S	.	.	H	α-helix	trans	-68.6	-35.5	175.6	-67.1	165.6	0	0	0	109.8	V82 A85 H465 V466 A467 T471 M472	V82-I469 HydrophobicContact CG2-CG2 4.32Å; A85-I469 HydrophobicContact CB-CB 4.1Å; A85-I469 HydrophobicContact CB-CG2 3.73Å; H465-I469 WeakPolarHBondContact O-CG1 3.37Å; H465-I469 PolarHBondContact O-N 3Å; H465-I469 VanDerWaalsContact O-N 3.1Å; V466-I469 PolarHBondContact O-N 2.94Å; A467-I469 VanDerWaalsContact C-N 3.34Å; A467-I469 PolarHBondContact O-N 2.8Å; I469-T471 VanDerWaalsContact C-N 3.25Å; I469-T471 PolarHBondContact O-N 2.98Å; I469-M472 PolarHBondContact O-N 3.19Å
470	A	76.3	Confident	66.1	Low	14 Å²	14	89 Å²	89	12%	0.116	45%	0.445	C	S	.	.	H	α-helix	trans	-64	-27.6	179	0	0	0	0	0	113.5	A85 A89 V466 A467 S468	A85-A470 HydrophobicContact CB-CB 4.11Å; A89-A470 HydrophobicContact CB-CB 4.1Å; V466-A470 PolarHBondContact O-N 3.47Å; A467-A470 WeakPolarHBondContact O-CB 3.03Å; A467-A470 PolarHBondContact O-N 2.95Å; S468-A470 VanDerWaalsContact C-N 3.29Å
471	T	73.9	Confident	64.5	Low	109 Å²	109	93.1 Å²	93.1	67%	0.669	46%	0.46	S	S	*	.	H	α-helix	trans	-89	-11.3	-175.7	56.9	0	0	0	0	114.4	S468 I469 R473	S468-T471 PolarHBondContact O-N 2.68Å; S468-T471 PolarHBondContact O-OG1 2.78Å; I469-T471 VanDerWaalsContact C-N 3.25Å; I469-T471 PolarHBondContact O-N 2.98Å; T471-R473 PolarHBondContact O-N 3.35Å
472	M	68.6	Low	63.1	Low	140 Å²	140	96.7 Å²	96.7	69%	0.69	47%	0.47	S	S	*	.			trans	-74.3	25.4	-178.1	-73	-163.8	177.9	0	0	115.5	I469 T474	I469-M472 PolarHBondContact O-N 3.19Å; M472-T474 VanDerWaalsContact C-N 3.29Å; M472-T474 PolarHBondContact O-N 3.32Å; M472-T474 VanDerWaalsContact O-N 3.1Å
473	R	57	Low	61.9	Low	147 Å²	147	96.3 Å²	96.3	56%	0.555	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	1	-163.1	-143.6	178.6	-173.1	138.6	8.3	116.3	V82 D83 S86 T471	V82-R473 HydrophobicContact CG1-CG 4.38Å; D83-R473 IonicContact OD1-CZ 3.05Å; D83-R473 IonicContact OD1-NE 2.93Å; D83-R473 IonicContact OD1-NH2 2.71Å; D83-R473 PolarHBondContact OD1-NH2 3.33Å; S86-R473 VanDerWaalsContact CB-NH1 3.29Å; S86-R473 PolarHBondContact OG-NH1 3.05Å; T471-R473 PolarHBondContact O-N 3.35Å
474	T	46.9	Very low	60.8	Low	118 Å²	118	99 Å²	99	72%	0.724	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-11.3	-159.6	51.7	0	0	0	0	118.4	M472	M472-T474 VanDerWaalsContact C-N 3.29Å; M472-T474 PolarHBondContact O-N 3.32Å; M472-T474 VanDerWaalsContact O-N 3.1Å
475	D	37.3	Very low	59.5	Low	135 Å²	135	101.3 Å²	101.3	72%	0.722	50%	0.496	S	S	*	.			trans	-116.3	16.3	-156	-66.9	2.9	0	0	0	118.7
476	Y	40.5	Very low	58.6	Low	218 Å²	218	100.8 Å²	100.8	86%	0.855	49%	0.494	S	S	*	.			trans	-117.6	94.8	180	-80.8	-85.8	0	0	0	114.6
477	T	34.7	Very low	57.7	Low	100 Å²	100	104.4 Å²	104.4	61%	0.613	52%	0.517	S	S	*	.			trans	-82.5	153.7	164.5	61.9	0	0	0	0	111.4	K14	K14-T477 WeakPolarHBondContact CE-O 3.18Å; K14-T477 VanDerWaalsContact CE-OG1 3.26Å; K14-T477 WeakPolarHBondContact CE-OG1 3.33Å; K14-T477 WeakPolarHBondContact CG-O 3.43Å; K14-T477 PolarHBondContact NZ-OG1 3.36Å
478	R	37.7	Very low	56.8	Low	68 Å²	68	106 Å²	106	26%	0.257	52%	0.519	S	S	.	.			trans	-127.2	149.6	-168.8	-103.3	-171.1	143.5	174.2	-21.4	108.8	K14 R15 I16 E17	K14-R478 VanDerWaalsContact CD-C 3.47Å; R15-R478 HydrophobicContact CB-CG 3.65Å; R15-R478 VanDerWaalsContact CG-CZ 3.47Å; R15-R478 CarbonylContact O-C 3.47Å; R15-R478 WeakPolarHBondContact O-CA 3Å; R15-R478 WeakPolarHBondContact O-CB 3.4Å; R15-R478 VanDerWaalsContact O-CD 3.27Å; R15-R478 WeakPolarHBondContact O-CD 3.26Å; R15-R478 WeakPolarHBondContact O-CG 3.32Å; I16-R478 VanDerWaalsContact CA-CZ 3.44Å; I16-R478 HydrophobicContact CB-CB 4.02Å; I16-R478 VanDerWaalsContact CB-CD 3.44Å; I16-R478 HydrophobicContact CB-CG 4.27Å; I16-R478 HydrophobicContact CD1-CB 3.48Å; I16-R478 VanDerWaalsContact CD1-CB 3.48Å; I16-R478 HydrophobicContact CD1-CG 3.98Å; I16-R478 HydrophobicContact CG1-CB 4.07Å; I16-R478 HydrophobicContact CG1-CG 4.21Å; I16-R478 VanDerWaalsContact N-CZ 3.31Å; E17-R478 IonicContact OE1-CZ 2.63Å; E17-R478 IonicContact OE1-NH1 3.47Å; E17-R478 PolarHBondContact OE1-NH1 3.42Å; E17-R478 IonicContact OE1-NH2 3.62Å; E17-R478 PolarHBondContact OE1-NH2 2.87Å; E17-R478 IonicContact OE2-CZ 2.62Å; E17-R478 IonicContact OE2-NH1 3.8Å; E17-R478 PolarHBondContact OE2-NH1 3.47Å; E17-R478 IonicContact OE2-NH2 2.74Å
479	T	35.4	Very low	55.6	Low	75 Å²	75	109.7 Å²	109.7	46%	0.46	53%	0.534	S	S	.	.			trans	-128.8	141.1	-173.4	39	0	0	0	0	108.6	K14 R15	K14-T479 VanDerWaalsContact CB-N 3.31Å; K14-T479 WeakPolarHBondContact CB-OG1 3.42Å; K14-T479 HydrophobicContact CD-CG2 3.15Å; K14-T479 VanDerWaalsContact CD-N 3.34Å; K14-T479 WeakPolarHBondContact CD-OG1 3.46Å; K14-T479 HydrophobicContact CG-CG2 4.37Å; K14-T479 WeakPolarHBondContact CG-OG1 3.32Å; R15-T479 PolarHBondContact O-N 3.49Å
480	R	40.1	Very low	54.4	Low	215 Å²	215	114 Å²	114	81%	0.811	56%	0.557	S	S	*	*			trans	-72.4	145.8	-177.2	-75.2	-168.9	171.6	-165.8	0.2	112.4
481	R	50.7	Low	53.8	Low	196 Å²	196	114.2 Å²	114.2	74%	0.74	56%	0.559	S	S	*	*			trans	-118.6	13.6	-176.2	-71	-174.1	176.6	-179	-2.8	114.9	K14	K14-R481 PolarHBondContact O-NH2 3.08Å
482	Q	55.8	Low	53.4	Low	118 Å²	118	114.2 Å²	114.2	55%	0.551	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-142.6	138.2	-172	-67.8	175.5	-16.6	0	0	112	V484	Q482-V484 HydrophobicContact CB-CG2 4.15Å
483	I	58.9	Low	53.2	Low	35 Å²	35	108.4 Å²	108.4	18%	0.179	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113	171.5	-55.9	173.8	0	0	0	107.1	Q486 Q502 A503 V505	I483-Q486 HydrophobicContact CG2-CB 4.11Å; I483-Q502 HydrophobicContact CD1-CB 4.42Å; I483-A503 PolarHBondContact N-O 3.12Å; I483-V505 PolarHBondContact O-N 3.5Å
484	V	60.7	Low	53.7	Low	67 Å²	67	104.8 Å²	104.8	41%	0.406	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.5	-177.7	-177.9	0	0	0	0	108	Q482 Q486	Q482-V484 HydrophobicContact CB-CG2 4.15Å; V484-Q486 PolarHBondContact O-N 3.49Å
485	L	58.1	Low	54.3	Low	124 Å²	124	105 Å²	105	65%	0.649	51%	0.514	S	S	*	.	S	Bend	trans	61.2	35.4	172.3	-64.6	158.3	0	0	0	115.6	P487 V505 L506	L485-P487 WeakPolarHBondContact O-CD 3.33Å; L485-V505 PolarHBondContact N-O 2.95Å; L485-L506 HydrophobicContact CD2-CB 4.18Å
486	Q	65.4	Low	55.7	Low	110 Å²	110	102.4 Å²	102.4	51%	0.514	50%	0.5	S	S	.	.			trans	-110.6	94.7	172.5	-74.2	-175.9	-20.7	0	0	110.3	I483 V484 Q488 S507	I483-Q486 HydrophobicContact CG2-CB 4.11Å; V484-Q486 PolarHBondContact O-N 3.49Å; Q486-Q488 PolarHBondContact O-N 2.91Å; Q486-S507 WeakPolarHBondContact O-CB 3.13Å
487	P	64	Low	56.9	Low	84 Å²	84	94.6 Å²	94.6	55%	0.545	48%	0.476	S	S	.	.			trans	-62.5	126.4	173.9	27.3	-33.2	0	0	0	109.2	L485 P508	L485-P487 WeakPolarHBondContact O-CD 3.33Å; P487-P508 HydrophobicContact CB-CG 3.75Å
488	Q	65.3	Low	58.5	Low	68 Å²	68	93.1 Å²	93.1	32%	0.318	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106	178.4	-64.7	-117.4	-42.5	0	0	108.1	Q486 A491 P508 V510	Q486-Q488 PolarHBondContact O-N 2.91Å; Q488-A491 HydrophobicContact CB-CB 4.15Å; Q488-P508 PolarHBondContact N-O 2.94Å; Q488-P508 VanDerWaalsContact N-O 3.07Å; Q488-V510 PolarHBondContact O-N 3.48Å; Q488-V510 VanDerWaalsContact O-N 3.11Å
489	L	58.5	Low	59.7	Low	122 Å²	122	91.3 Å²	91.3	64%	0.639	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.2	172.9	-77.5	156.3	0	0	0	108	A491 V510	L489-A491 VanDerWaalsContact C-N 3.32Å; L489-A491 PolarHBondContact O-N 2.86Å; L489-V510 HydrophobicContact CD2-CB 3.81Å; L489-V510 HydrophobicContact CD2-CG1 4Å
490	L	57.1	Low	61.1	Low	131 Å²	131	88.9 Å²	88.9	69%	0.686	46%	0.458	S	S	*	.	S	Bend	trans	59.7	34.3	176.2	-64.8	160.3	0	0	0	114.7	N492 V510 L511	L490-N492 PolarHBondContact O-N 2.85Å; L490-V510 PolarHBondContact N-O 2.98Å; L490-V510 VanDerWaalsContact N-O 3.15Å; L490-L511 WeakPolarHBondContact CA-O 3.36Å; L490-L511 HydrophobicContact CD2-CB 3.97Å; L490-L511 HydrophobicContact CD2-CD1 4.18Å; L490-L511 HydrophobicContact CG-CB 4.47Å
491	A	63.6	Low	62.4	Low	19 Å²	19	80.4 Å²	80.4	16%	0.157	43%	0.432	C	S	.	.			trans	-83.5	114.3	177.4	0	0	0	0	0	111.3	Q488 L489 L493 S512 T513	Q488-A491 HydrophobicContact CB-CB 4.15Å; L489-A491 VanDerWaalsContact C-N 3.32Å; L489-A491 PolarHBondContact O-N 2.86Å; A491-L493 HydrophobicContact CB-CG 4.3Å; A491-L493 PolarHBondContact O-N 3.46Å; A491-S512 WeakPolarHBondContact O-CA 3.05Å; A491-S512 WeakPolarHBondContact O-CB 3.49Å; A491-T513 PolarHBondContact O-N 3.44Å
492	N	65.9	Low	63.5	Low	108 Å²	108	74.4 Å²	74.4	58%	0.578	41%	0.412	S	S	*	.			trans	-83.7	99.8	167.5	-73	-22.6	0	0	0	109.1	L490 N494 T513	L490-N492 PolarHBondContact O-N 2.85Å; N492-N494 VanDerWaalsContact C-N 3.27Å; N492-N494 PolarHBondContact O-N 3.32Å; N492-T513 PolarHBondContact OD1-OG1 3.48Å
493	L	64.6	Low	64.2	Low	19 Å²	19	69.9 Å²	69.9	10%	0.099	40%	0.395	C	S	.	.			trans	-94.3	55.6	-178.6	-66.2	172	0	0	0	110.7	A491 L500 T513 I514	A491-L493 HydrophobicContact CB-CG 4.3Å; A491-L493 PolarHBondContact O-N 3.46Å; L493-L500 HydrophobicContact CB-CD1 4.35Å; L493-L500 HydrophobicContact CD1-CD2 3.94Å; L493-L500 HydrophobicContact CD1-CG 4.39Å; L493-T513 PolarHBondContact N-O 3.35Å; L493-I514 HydrophobicContact CB-CG1 4.42Å
494	N	67.4	Low	64.9	Low	71 Å²	71	69 Å²	69	38%	0.38	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	128.4	178	-62.9	-19.6	0	0	0	109.3	N492 N496 V515	N492-N494 VanDerWaalsContact C-N 3.27Å; N492-N494 PolarHBondContact O-N 3.32Å; N494-N496 VanDerWaalsContact C-N 3.26Å; N494-N496 PolarHBondContact O-N 3.15Å; N494-V515 WeakPolarHBondContact CA-O 3.41Å; N494-V515 WeakPolarHBondContact OD1-CB 3.34Å; N494-V515 PolarHBondContact OD1-N 2.92Å
495	L	59.1	Low	65.6	Low	122 Å²	122	67.5 Å²	67.5	64%	0.639	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	24.8	176.4	-63.5	154.7	0	0	0	115.6	P497 V515 L516	L495-P497 WeakPolarHBondContact O-CD 2.89Å; L495-V515 PolarHBondContact N-O 2.88Å; L495-V515 VanDerWaalsContact N-O 3.15Å; L495-L516 HydrophobicContact CD2-CB 4.04Å; L495-L516 HydrophobicContact CG-CB 4.43Å
496	N	66.2	Low	66.5	Low	81 Å²	81	65.6 Å²	65.6	43%	0.433	37%	0.372	S	S	.	.			trans	-108.6	74.1	-179.1	-90.3	-23.2	0	0	0	113.1	N494 A498 A499	N494-N496 VanDerWaalsContact C-N 3.26Å; N494-N496 PolarHBondContact O-N 3.15Å; N496-A498 VanDerWaalsContact C-N 3.27Å; N496-A498 PolarHBondContact O-N 3.21Å; N496-A499 HydrophobicContact CB-CB 4.35Å
497	P	66.3	Low	67	Low	54 Å²	54	60.5 Å²	60.5	35%	0.351	35%	0.349	S	S	.	.	H	α-helix	trans	-66.7	-30.2	178.9	28.6	-35.3	0	0	0	112.5	L495 L500 S501 P518	L495-P497 WeakPolarHBondContact O-CD 2.89Å; P497-L500 PolarHBondContact O-N 2.99Å; P497-S501 WeakPolarHBondContact O-CB 3.1Å; P497-S501 PolarHBondContact O-N 3.37Å; P497-S501 PolarHBondContact O-OG 2.75Å; P497-P518 WeakPolarHBondContact CA-O 3.43Å; P497-P518 HydrophobicContact CB-CG 3.95Å; P497-P518 VanDerWaalsContact CB-O 3.23Å; P497-P518 WeakPolarHBondContact CB-O 3.22Å
498	A	66.9	Low	67.7	Low	68 Å²	68	58.7 Å²	58.7	56%	0.562	34%	0.337	S	S	*	.	H	α-helix	trans	-71.9	-30	-176	0	0	0	0	0	113.4	N496 Q502	N496-A498 VanDerWaalsContact C-N 3.27Å; N496-A498 PolarHBondContact O-N 3.21Å; A498-Q502 WeakPolarHBondContact O-CG 3.42Å; A498-Q502 PolarHBondContact O-NE2 3.04Å
499	A	64.6	Low	68.4	Low	31 Å²	31	56.1 Å²	56.1	26%	0.256	33%	0.325	S	S	.	.	H	α-helix	trans	-77.5	-37.1	176.3	0	0	0	0	0	111.5	N496	N496-A499 HydrophobicContact CB-CB 4.35Å
500	L	64.2	Low	69.4	Low	23 Å²	23	52.2 Å²	52.2	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-87.4	-13.1	-177.7	-69.2	171	0	0	0	114	L493 P497 Q502 I514 S517 A519	L493-L500 HydrophobicContact CB-CD1 4.35Å; L493-L500 HydrophobicContact CD1-CD2 3.94Å; L493-L500 HydrophobicContact CD1-CG 4.39Å; P497-L500 PolarHBondContact O-N 2.99Å; L500-Q502 VanDerWaalsContact C-N 3.28Å; L500-I514 HydrophobicContact CD1-CG2 3.69Å; L500-S517 VanDerWaalsContact CD1-OG 3.26Å; L500-S517 WeakPolarHBondContact CD1-OG 3.46Å; L500-A519 HydrophobicContact CB-CB 4.27Å
501	S	67.5	Low	70.4	Confident	38 Å²	38	49.9 Å²	49.9	27%	0.266	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	16.7	171	-59.6	0	0	0	0	113.4	P497 V520 L521	P497-S501 WeakPolarHBondContact O-CB 3.1Å; P497-S501 PolarHBondContact O-N 3.37Å; P497-S501 PolarHBondContact O-OG 2.75Å; S501-V520 PolarHBondContact OG-N 2.94Å; S501-L521 CarbonylContact C-O 3.6Å
502	Q	73	Confident	71	Confident	70 Å²	70	49 Å²	49	33%	0.327	29%	0.287	S	S	.	.	S	Bend	trans	-106.1	155	173.4	-67.3	176.2	30.7	0	0	110	I483 A498 L500 V504	I483-Q502 HydrophobicContact CD1-CB 4.42Å; A498-Q502 WeakPolarHBondContact O-CG 3.42Å; A498-Q502 PolarHBondContact O-NE2 3.04Å; L500-Q502 VanDerWaalsContact C-N 3.28Å; Q502-V504 PolarHBondContact O-N 2.94Å
503	A	71.4	Confident	71.6	Confident	23 Å²	23	46.1 Å²	46.1	19%	0.19	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.7	171.8	0	0	0	0	0	109.8	I483 P523	I483-A503 PolarHBondContact N-O 3.12Å; A503-P523 HydrophobicContact CB-CG 3.64Å
504	V	73.1	Confident	72.4	Confident	15 Å²	15	45.2 Å²	45.2	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.8	-176.8	176.1	0	0	0	0	107.9	Q502 S507 P523 L524 I525	Q502-V504 PolarHBondContact O-N 2.94Å; V504-S507 WeakPolarHBondContact CG1-OG 3.35Å; V504-P523 PolarHBondContact N-O 2.75Å; V504-P523 VanDerWaalsContact N-O 3.09Å; V504-L524 HydrophobicContact CB-CD2 3.61Å; V504-L524 HydrophobicContact CG1-CD2 3.67Å; V504-L524 HydrophobicContact CG2-CD2 4.35Å; V504-I525 PolarHBondContact O-N 3.29Å; V504-I525 VanDerWaalsContact O-N 3.15Å
505	V	75.8	Confident	73	Confident	37 Å²	37	44.1 Å²	44.1	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.9	-174.7	-175.4	0	0	0	0	109.9	I483 L485 S507 I525	I483-V505 PolarHBondContact O-N 3.5Å; L485-V505 PolarHBondContact N-O 2.95Å; V505-S507 VanDerWaalsContact C-N 3.29Å; V505-S507 PolarHBondContact O-N 3.24Å; V505-I525 WeakPolarHBondContact CA-O 3.29Å; V505-I525 HydrophobicContact CG2-CB 4.45Å
506	L	76.9	Confident	74	Confident	84 Å²	84	42.7 Å²	42.7	44%	0.44	26%	0.256	S	S	.	.	S	Bend	trans	57.7	34.1	176.6	-65.1	166.1	0	0	0	114.7	L485 I525 L526	L485-L506 HydrophobicContact CD2-CB 4.18Å; L506-I525 PolarHBondContact N-O 3.29Å; L506-L526 HydrophobicContact CD2-CB 3.72Å; L506-L526 HydrophobicContact CD2-CD1 3.91Å; L506-L526 HydrophobicContact CD2-CG 4.44Å; L506-L526 HydrophobicContact CG-CB 4.35Å; L506-L526 HydrophobicContact CG-CD1 4.47Å
507	S	76.5	Confident	74.5	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.021	24%	0.237	C	C	.	.			trans	-115.1	114.6	171.7	55.5	0	0	0	0	110.2	Q486 V504 V505 L509 S527	Q486-S507 WeakPolarHBondContact O-CB 3.13Å; V504-S507 WeakPolarHBondContact CG1-OG 3.35Å; V505-S507 VanDerWaalsContact C-N 3.29Å; V505-S507 PolarHBondContact O-N 3.24Å; S507-L509 WeakPolarHBondContact O-CD1 3.47Å; S507-S527 VanDerWaalsContact O-CB 3.26Å; S507-S527 WeakPolarHBondContact O-CB 3.42Å
508	P	78.4	Confident	75.2	Confident	46 Å²	46	39 Å²	39	30%	0.299	24%	0.237	S	C	.	.			trans	-68.9	135.5	170	29.5	-34.5	0	0	0	110	P487 Q488 P528	P487-P508 HydrophobicContact CB-CG 3.75Å; Q488-P508 PolarHBondContact N-O 2.94Å; Q488-P508 VanDerWaalsContact N-O 3.07Å; P508-P528 HydrophobicContact CB-CG 3.72Å
509	L	78.5	Confident	75.8	Confident	13 Å²	13	36 Å²	36	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.7	170.7	-78	85	0	0	0	108.4	S507 P528 V530 T532	S507-L509 WeakPolarHBondContact O-CD1 3.47Å; L509-P528 PolarHBondContact N-O 3.06Å; L509-V530 PolarHBondContact O-N 3.13Å; L509-T532 HydrophobicContact CB-CG2 4.26Å
510	V	80	Confident	76.3	Confident	41 Å²	41	38.5 Å²	38.5	25%	0.248	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.4	-177.1	-179.7	0	0	0	0	108.9	Q488 L489 L490 S512 V530	Q488-V510 PolarHBondContact O-N 3.48Å; Q488-V510 VanDerWaalsContact O-N 3.11Å; L489-V510 HydrophobicContact CD2-CB 3.81Å; L489-V510 HydrophobicContact CD2-CG1 4Å; L490-V510 PolarHBondContact N-O 2.98Å; L490-V510 VanDerWaalsContact N-O 3.15Å; V510-S512 PolarHBondContact O-N 3.43Å; V510-V530 WeakPolarHBondContact CA-O 3.31Å; V510-V530 HydrophobicContact CG2-CB 4.45Å
511	L	79.3	Confident	76.8	Confident	82 Å²	82	42.3 Å²	42.3	43%	0.429	24%	0.244	S	C	.	.	S	Bend	trans	58.3	40.1	178.4	-62.2	168.2	0	0	0	113.9	L490 V530 L531	L490-L511 WeakPolarHBondContact CA-O 3.36Å; L490-L511 HydrophobicContact CD2-CB 3.97Å; L490-L511 HydrophobicContact CD2-CD1 4.18Å; L490-L511 HydrophobicContact CG-CB 4.47Å; L511-V530 PolarHBondContact N-O 3.29Å; L511-L531 HydrophobicContact CD2-CB 3.82Å; L511-L531 HydrophobicContact CD2-CD1 3.47Å; L511-L531 VanDerWaalsContact CD2-CD1 3.47Å; L511-L531 HydrophobicContact CD2-CG 4.28Å; L511-L531 HydrophobicContact CG-CD1 4.44Å
512	S	75.4	Confident	77.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.			trans	-103.5	128.8	178.5	63.8	0	0	0	0	111.8	A491 V510 T532	A491-S512 WeakPolarHBondContact O-CA 3.05Å; A491-S512 WeakPolarHBondContact O-CB 3.49Å; V510-S512 PolarHBondContact O-N 3.43Å; S512-T532 WeakPolarHBondContact O-CA 3.41Å; S512-T532 WeakPolarHBondContact O-CB 3.34Å; S512-T532 WeakPolarHBondContact OG-CG2 3.03Å
513	T	79.1	Confident	77.5	Confident	47 Å²	47	38.9 Å²	38.9	29%	0.288	23%	0.228	S	C	.	.			trans	-92.6	131.8	171.4	63.1	0	0	0	0	110.2	A491 N492 L493 P533	A491-T513 PolarHBondContact O-N 3.44Å; N492-T513 PolarHBondContact OD1-OG1 3.48Å; L493-T513 PolarHBondContact N-O 3.35Å; T513-P533 HydrophobicContact CG2-CG 4.03Å
514	I	80.1	Confident	78	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	103.7	-179.4	-55.7	178.5	0	0	0	108.1	L493 L500 S517 P533 L534 V535	L493-I514 HydrophobicContact CB-CG1 4.42Å; L500-I514 HydrophobicContact CD1-CG2 3.69Å; I514-S517 WeakPolarHBondContact CG2-OG 3.35Å; I514-P533 PolarHBondContact N-O 3.34Å; I514-P533 VanDerWaalsContact N-O 3.12Å; I514-L534 HydrophobicContact CB-CD1 3.95Å; I514-L534 HydrophobicContact CG2-CD1 3.53Å; I514-V535 PolarHBondContact O-N 2.8Å
515	V	80.6	Confident	78.4	Confident	47 Å²	47	40.7 Å²	40.7	29%	0.285	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133	-179	-171.9	0	0	0	0	110.4	N494 L495 S517 V535	N494-V515 WeakPolarHBondContact CA-O 3.41Å; N494-V515 WeakPolarHBondContact OD1-CB 3.34Å; N494-V515 PolarHBondContact OD1-N 2.92Å; L495-V515 PolarHBondContact N-O 2.88Å; L495-V515 VanDerWaalsContact N-O 3.15Å; V515-S517 VanDerWaalsContact C-N 3.35Å; V515-S517 PolarHBondContact O-N 3.43Å; V515-V535 WeakPolarHBondContact CA-O 3.46Å; V515-V535 HydrophobicContact CG2-CB 4.44Å
516	L	80.5	Confident	78.9	Confident	92 Å²	92	42.5 Å²	42.5	48%	0.482	24%	0.241	S	C	.	.	S	Bend	trans	57.4	39.1	172.8	-73.3	159.3	0	0	0	114.5	L495 V535 L536	L495-L516 HydrophobicContact CD2-CB 4.04Å; L495-L516 HydrophobicContact CG-CB 4.43Å; L516-V535 PolarHBondContact N-O 2.75Å; L516-V535 VanDerWaalsContact N-O 3.09Å; L516-L536 WeakPolarHBondContact CA-O 3.21Å; L516-L536 HydrophobicContact CD2-CB 4.08Å; L516-L536 HydrophobicContact CD2-CD1 4.27Å; L516-L536 HydrophobicContact CG-CB 4.32Å; L516-L536 HydrophobicContact CG-CD1 4.5Å
517	S	76.3	Confident	79.2	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.014	22%	0.22	C	C	.	.			trans	-120.7	99.7	-178.1	50	0	0	0	0	112.1	L500 I514 V515 G537	L500-S517 VanDerWaalsContact CD1-OG 3.26Å; L500-S517 WeakPolarHBondContact CD1-OG 3.46Å; I514-S517 WeakPolarHBondContact CG2-OG 3.35Å; V515-S517 VanDerWaalsContact C-N 3.35Å; V515-S517 PolarHBondContact O-N 3.43Å; S517-G537 WeakPolarHBondContact O-CA 3.49Å
518	P	80.3	Confident	79.6	Confident	57 Å²	57	40.6 Å²	40.6	37%	0.37	23%	0.233	S	C	.	.			trans	-71.9	138.4	175.2	28.8	-33.6	0	0	0	110.8	P497 P538	P497-P518 WeakPolarHBondContact CA-O 3.43Å; P497-P518 HydrophobicContact CB-CG 3.95Å; P497-P518 VanDerWaalsContact CB-O 3.23Å; P497-P518 WeakPolarHBondContact CB-O 3.22Å; P518-P538 WeakPolarHBondContact CA-O 3.42Å; P518-P538 HydrophobicContact CB-CG 3.65Å
519	A	80	Confident	79.9	Confident	3 Å²	3	38.5 Å²	38.5	3%	0.025	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-126.9	128.9	175.9	0	0	0	0	0	111.1	L500 P538 R539 V540	L500-A519 HydrophobicContact CB-CB 4.27Å; A519-P538 PolarHBondContact N-O 3.45Å; A519-R539 HydrophobicContact CB-CG 4.36Å; A519-R539 WeakPolarHBondContact O-CA 3.1Å; A519-V540 PolarHBondContact O-N 3.36Å
520	V	76.5	Confident	80.3	Confident	84 Å²	84	40.3 Å²	40.3	51%	0.509	23%	0.231	S	C	.	.	S	Bend	trans	-107.1	-28.8	-175.9	-175.4	0	0	0	0	113.3	S501 V540 L541	S501-V520 PolarHBondContact OG-N 2.94Å; V520-V540 CarbonylContact C-O 3.58Å; V520-V540 CarbonylContact O-C 3.51Å; V520-L541 WeakPolarHBondContact O-CB 3.24Å
521	L	74.5	Confident	80.5	Confident	104 Å²	104	42 Å²	42	55%	0.545	24%	0.238	S	C	.	.	S	Bend	trans	-146.4	75.4	-179.6	-71.8	175.1	0	0	0	109.8	S501 L541	S501-L521 CarbonylContact C-O 3.6Å; L521-L541 HydrophobicContact CD2-CB 3.88Å; L521-L541 HydrophobicContact CD2-CD1 3.81Å
522	G	73.6	Confident	80.7	Confident	3 Å²	3	38.1 Å²	38.1	3%	0.031	22%	0.218	C	C	.	.			trans	-127.3	70.6	-175.3	0	0	0	0	0	112.8	L524 S542	G522-L524 PolarHBondContact O-N 3.45Å; G522-S542 WeakPolarHBondContact O-CB 3.42Å
523	P	81.3	Confident	81.2	Confident	33 Å²	33	40 Å²	40	21%	0.214	23%	0.23	C	C	.	.			trans	-64.6	130.8	173.2	28.7	-34.1	0	0	0	109.9	A503 V504 P543	A503-P523 HydrophobicContact CB-CG 3.64Å; V504-P523 PolarHBondContact N-O 2.75Å; V504-P523 VanDerWaalsContact N-O 3.09Å; P523-P543 WeakPolarHBondContact CA-O 3.2Å; P523-P543 HydrophobicContact CB-CG 3.68Å
524	L	81.3	Confident	81.6	Confident	12 Å²	12	37.9 Å²	37.9	6%	0.063	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111	177.1	-81.8	159.4	0	0	0	108.2	V504 G522 S527 P543 F544 V545	V504-L524 HydrophobicContact CB-CD2 3.61Å; V504-L524 HydrophobicContact CG1-CD2 3.67Å; V504-L524 HydrophobicContact CG2-CD2 4.35Å; G522-L524 PolarHBondContact O-N 3.45Å; L524-S527 VanDerWaalsContact CD2-OG 3.25Å; L524-S527 WeakPolarHBondContact CD2-OG 3.34Å; L524-P543 PolarHBondContact N-O 2.97Å; L524-F544 HydrophobicContact CB-CD1 4.35Å; L524-F544 HydrophobicContact CB-CD2 4.25Å; L524-F544 HydrophobicContact CB-CE1 4.43Å; L524-F544 HydrophobicContact CB-CE2 4.32Å; L524-F544 HydrophobicContact CB-CG 4.29Å; L524-F544 HydrophobicContact CB-CZ 4.45Å; L524-F544 HydrophobicContact CD1-CD1 4.36Å; L524-F544 HydrophobicContact CD1-CD2 4.21Å; L524-F544 HydrophobicContact CD1-CE1 3.64Å; L524-F544 HydrophobicContact CD1-CE2 3.45Å; L524-F544 VanDerWaalsContact CD1-CE2 3.45Å; L524-F544 HydrophobicContact CD1-CZ 3.15Å; L524-F544 HydrophobicContact CG-CE2 4.42Å; L524-F544 HydrophobicContact CG-CZ 4.38Å; L524-F544 WeakPolarHBondContact O-CA 2.98Å; L524-V545 PolarHBondContact O-N 3.19Å
525	I	82.5	Confident	81.9	Confident	63 Å²	63	39.7 Å²	39.7	32%	0.323	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.7	-174.7	-55	169.4	0	0	0	108.3	V504 V505 L506 S527 V545	V504-I525 PolarHBondContact O-N 3.29Å; V504-I525 VanDerWaalsContact O-N 3.15Å; V505-I525 WeakPolarHBondContact CA-O 3.29Å; V505-I525 HydrophobicContact CG2-CB 4.45Å; L506-I525 PolarHBondContact N-O 3.29Å; I525-S527 VanDerWaalsContact C-N 3.27Å; I525-S527 PolarHBondContact O-N 3.06Å; I525-V545 WeakPolarHBondContact CA-O 2.98Å
526	L	85.5	Confident	82	Confident	76 Å²	76	41 Å²	41	40%	0.398	23%	0.233	S	C	.	.	S	Bend	trans	57.6	36.1	179.2	-60.3	164	0	0	0	113.5	L506 V545 L546	L506-L526 HydrophobicContact CD2-CB 3.72Å; L506-L526 HydrophobicContact CD2-CD1 3.91Å; L506-L526 HydrophobicContact CD2-CG 4.44Å; L506-L526 HydrophobicContact CG-CB 4.35Å; L506-L526 HydrophobicContact CG-CD1 4.47Å; L526-V545 PolarHBondContact N-O 3.02Å; L526-L546 HydrophobicContact CD2-CB 3.61Å; L526-L546 HydrophobicContact CD2-CD1 3.71Å; L526-L546 HydrophobicContact CD2-CG 4.29Å; L526-L546 HydrophobicContact CG-CB 4.37Å
527	S	82.3	Confident	82.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.			trans	-111.2	101.9	178.7	56.6	0	0	0	0	110.6	S507 L524 I525 L529 S547	S507-S527 VanDerWaalsContact O-CB 3.26Å; S507-S527 WeakPolarHBondContact O-CB 3.42Å; L524-S527 VanDerWaalsContact CD2-OG 3.25Å; L524-S527 WeakPolarHBondContact CD2-OG 3.34Å; I525-S527 VanDerWaalsContact C-N 3.27Å; I525-S527 PolarHBondContact O-N 3.06Å; S527-L529 VanDerWaalsContact O-CD1 3.29Å; S527-L529 WeakPolarHBondContact O-CD1 3.48Å; S527-S547 WeakPolarHBondContact O-CB 3.3Å
528	P	85.1	Confident	82.5	Confident	47 Å²	47	39 Å²	39	31%	0.305	23%	0.225	S	C	.	.			trans	-69.6	136.7	173.9	30.2	-35.1	0	0	0	110.5	P508 L509 P548	P508-P528 HydrophobicContact CB-CG 3.72Å; L509-P528 PolarHBondContact N-O 3.06Å; P528-P548 WeakPolarHBondContact CA-O 2.82Å; P528-P548 HydrophobicContact CB-CG 3.73Å
529	L	84.7	Confident	82.8	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.2	178.8	-61.3	100.3	0	0	0	110	S527 F544 P548 S549 V550 F552	S527-L529 VanDerWaalsContact O-CD1 3.29Å; S527-L529 WeakPolarHBondContact O-CD1 3.48Å; L529-F544 HydrophobicContact CD1-CD1 4.41Å; L529-F544 HydrophobicContact CD1-CE1 3.93Å; L529-F544 HydrophobicContact CD2-CE1 4.5Å; L529-P548 PolarHBondContact N-O 3.2Å; L529-S549 WeakPolarHBondContact O-CA 3.26Å; L529-V550 PolarHBondContact O-N 3.21Å; L529-F552 HydrophobicContact CD2-CD2 4.26Å; L529-F552 HydrophobicContact CD2-CE2 3.92Å
530	V	86.5	Confident	83	Confident	51 Å²	51	39.2 Å²	39.2	31%	0.309	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	123	179.9	-176.8	0	0	0	0	110	L509 V510 L511 T532	L509-V530 PolarHBondContact O-N 3.13Å; V510-V530 WeakPolarHBondContact CA-O 3.31Å; V510-V530 HydrophobicContact CG2-CB 4.45Å; L511-V530 PolarHBondContact N-O 3.29Å; V530-T532 WeakPolarHBondContact O-CG2 3.41Å
531	L	85.9	Confident	83.4	Confident	76 Å²	76	39 Å²	39	40%	0.398	22%	0.22	S	C	.	.	S	Bend	trans	56.9	51.2	178.2	-67.4	165.3	0	0	0	112.7	L511 V550 L551	L511-L531 HydrophobicContact CD2-CB 3.82Å; L511-L531 HydrophobicContact CD2-CD1 3.47Å; L511-L531 VanDerWaalsContact CD2-CD1 3.47Å; L511-L531 HydrophobicContact CD2-CG 4.28Å; L511-L531 HydrophobicContact CG-CD1 4.44Å; L531-V550 PolarHBondContact N-O 3.46Å; L531-L551 HydrophobicContact CD2-CB 3.74Å; L531-L551 HydrophobicContact CD2-CD1 3.43Å; L531-L551 VanDerWaalsContact CD2-CD1 3.43Å; L531-L551 HydrophobicContact CD2-CG 4.19Å; L531-L551 HydrophobicContact CG-CB 4.38Å; L531-L551 HydrophobicContact CG-CD1 4.25Å
532	T	83.6	Confident	83.8	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.			trans	-121.4	88	-176.7	67.3	0	0	0	0	111.8	L509 S512 V530 L551 F552	L509-T532 HydrophobicContact CB-CG2 4.26Å; S512-T532 WeakPolarHBondContact O-CA 3.41Å; S512-T532 WeakPolarHBondContact O-CB 3.34Å; S512-T532 WeakPolarHBondContact OG-CG2 3.03Å; V530-T532 WeakPolarHBondContact O-CG2 3.41Å; T532-L551 PolarHBondContact N-O 2.79Å; T532-F552 WeakPolarHBondContact O-CD2 3.41Å; T532-F552 WeakPolarHBondContact O-CE2 3.45Å; T532-F552 WeakPolarHBondContact OG1-CD2 3.28Å; T532-F552 WeakPolarHBondContact OG1-CE2 3.34Å
533	P	85.8	Confident	84.4	Confident	40 Å²	40	35.8 Å²	35.8	26%	0.26	21%	0.205	S	C	.	.			trans	-68	134.6	178.7	28.6	-35	0	0	0	111.4	T513 I514 P553	T513-P533 HydrophobicContact CG2-CG 4.03Å; I514-P533 PolarHBondContact N-O 3.34Å; I514-P533 VanDerWaalsContact N-O 3.12Å; P533-P553 HydrophobicContact CB-CG 3.72Å
534	L	85.8	Confident	84.7	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113	173.9	178.9	64.2	0	0	0	109.9	I514 F552 P553 V554 I555	I514-L534 HydrophobicContact CB-CD1 3.95Å; I514-L534 HydrophobicContact CG2-CD1 3.53Å; L534-F552 HydrophobicContact CB-CE2 4.36Å; L534-F552 HydrophobicContact CB-CZ 3.89Å; L534-F552 HydrophobicContact CD2-CZ 4.18Å; L534-P553 PolarHBondContact N-O 3.14Å; L534-V554 HydrophobicContact CD2-CG1 4.42Å; L534-I555 PolarHBondContact O-N 3.26Å
535	V	86.7	Confident	84.9	Confident	39 Å²	39	35.7 Å²	35.7	24%	0.236	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.8	-179.6	-173.4	0	0	0	0	109.8	I514 V515 L516 G537 I555	I514-V535 PolarHBondContact O-N 2.8Å; V515-V535 WeakPolarHBondContact CA-O 3.46Å; V515-V535 HydrophobicContact CG2-CB 4.44Å; L516-V535 PolarHBondContact N-O 2.75Å; L516-V535 VanDerWaalsContact N-O 3.09Å; V535-G537 PolarHBondContact O-N 2.81Å; V535-I555 WeakPolarHBondContact CA-O 3.49Å; V535-I555 HydrophobicContact CG2-CB 4.39Å; V535-I555 HydrophobicContact CG2-CD1 4.35Å
536	L	84	Confident	85.1	Confident	75 Å²	75	36.3 Å²	36.3	39%	0.393	21%	0.207	S	C	.	.	S	Bend	trans	57.6	39.9	174.8	-65.8	163.1	0	0	0	114.6	L516 I555 L556	L516-L536 WeakPolarHBondContact CA-O 3.21Å; L516-L536 HydrophobicContact CD2-CB 4.08Å; L516-L536 HydrophobicContact CD2-CD1 4.27Å; L516-L536 HydrophobicContact CG-CB 4.32Å; L516-L536 HydrophobicContact CG-CD1 4.5Å; L536-I555 PolarHBondContact N-O 3.12Å; L536-L556 HydrophobicContact CD2-CB 3.64Å; L536-L556 HydrophobicContact CD2-CD1 4Å; L536-L556 HydrophobicContact CD2-CG 4.35Å; L536-L556 HydrophobicContact CG-CB 4.14Å; L536-L556 HydrophobicContact CG-CD1 4.49Å
537	G	81.5	Confident	85.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.			trans	-117	90.1	179.9	0	0	0	0	0	112.6	S517 V535 R539 S557	S517-G537 WeakPolarHBondContact O-CA 3.49Å; V535-G537 PolarHBondContact O-N 2.81Å; G537-R539 PolarHBondContact O-N 2.81Å; G537-S557 VanDerWaalsContact O-CB 3.26Å; G537-S557 WeakPolarHBondContact O-CB 3.49Å
538	P	85.5	Confident	85.4	Confident	50 Å²	50	35.1 Å²	35.1	33%	0.325	20%	0.204	S	C	.	.			trans	-65.1	134.8	179.6	30.5	-37.1	0	0	0	110.4	P518 A519 P558	P518-P538 WeakPolarHBondContact CA-O 3.42Å; P518-P538 HydrophobicContact CB-CG 3.65Å; A519-P538 PolarHBondContact N-O 3.45Å; P538-P558 WeakPolarHBondContact CA-O 3.26Å; P538-P558 HydrophobicContact CB-CG 3.5Å; P538-P558 VanDerWaalsContact CB-CG 3.5Å
539	R	85.6	Confident	85.6	Confident	11 Å²	11	33 Å²	33	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.4	-177	-70.1	-162.7	177.1	-152.3	0.5	111.4	A519 G537 F544 P558 L559 V560	A519-R539 HydrophobicContact CB-CG 4.36Å; A519-R539 WeakPolarHBondContact O-CA 3.1Å; G537-R539 PolarHBondContact O-N 2.81Å; R539-F544 VanDerWaalsContact NH1-CZ 3.31Å; R539-P558 PolarHBondContact N-O 2.79Å; R539-L559 HydrophobicContact CB-CD2 4.16Å; R539-V560 PolarHBondContact O-N 3.09Å
540	V	85.7	Confident	85.8	Confident	55 Å²	55	35.6 Å²	35.6	33%	0.333	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.6	175.2	-174.9	0	0	0	0	107.9	A519 V520 S542 V560	A519-V540 PolarHBondContact O-N 3.36Å; V520-V540 CarbonylContact C-O 3.58Å; V520-V540 CarbonylContact O-C 3.51Å; V540-S542 PolarHBondContact O-N 3.13Å; V540-V560 CarbonylContact C-O 3.44Å; V540-V560 WeakPolarHBondContact CA-O 3.25Å; V540-V560 HydrophobicContact CG2-CB 4.4Å
541	L	84.3	Confident	85.8	Confident	79 Å²	79	36.5 Å²	36.5	41%	0.414	21%	0.209	S	C	.	.	S	Bend	trans	50.1	47.4	173.8	-65.6	166.5	0	0	0	114.7	V520 L521 P543 V560 L561	V520-L541 WeakPolarHBondContact O-CB 3.24Å; L521-L541 HydrophobicContact CD2-CB 3.88Å; L521-L541 HydrophobicContact CD2-CD1 3.81Å; L541-P543 WeakPolarHBondContact O-CD 3.37Å; L541-V560 PolarHBondContact N-O 2.79Å; L541-L561 HydrophobicContact CD2-CB 3.91Å; L541-L561 HydrophobicContact CD2-CD1 3.54Å; L541-L561 HydrophobicContact CD2-CG 4.32Å; L541-L561 HydrophobicContact CG-CB 4.42Å; L541-L561 HydrophobicContact CG-CD1 4.13Å
542	S	83.2	Confident	85.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.			trans	-117.9	86.7	178.1	36.4	0	0	0	0	110.4	G522 V540 H562	G522-S542 WeakPolarHBondContact O-CB 3.42Å; V540-S542 PolarHBondContact O-N 3.13Å; S542-H562 PolarHBondContact O-CD2 2.97Å; S542-H562 PolarHBondContact OG-CD2 2.95Å; S542-H562 VanDerWaalsContact OG-CD2 3.22Å
543	P	85.6	Confident	86.1	Confident	40 Å²	40	35.4 Å²	35.4	26%	0.26	21%	0.205	S	C	.	.			trans	-71.5	137.2	174.9	30.5	-36	0	0	0	111	P523 L524 L541 P563	P523-P543 WeakPolarHBondContact CA-O 3.2Å; P523-P543 HydrophobicContact CB-CG 3.68Å; L524-P543 PolarHBondContact N-O 2.97Å; L541-P543 WeakPolarHBondContact O-CD 3.37Å; P543-P563 HydrophobicContact CB-CG 3.63Å
544	F	86.8	Confident	86.2	Confident	2 Å²	2	34 Å²	34	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.5	173	-84.5	-124.8	0	0	0	108.6	L524 L529 R539 S547 H562 P563 M564 I565	L524-F544 HydrophobicContact CB-CD1 4.35Å; L524-F544 HydrophobicContact CB-CD2 4.25Å; L524-F544 HydrophobicContact CB-CE1 4.43Å; L524-F544 HydrophobicContact CB-CE2 4.32Å; L524-F544 HydrophobicContact CB-CG 4.29Å; L524-F544 HydrophobicContact CB-CZ 4.45Å; L524-F544 HydrophobicContact CD1-CD1 4.36Å; L524-F544 HydrophobicContact CD1-CD2 4.21Å; L524-F544 HydrophobicContact CD1-CE1 3.64Å; L524-F544 HydrophobicContact CD1-CE2 3.45Å; L524-F544 VanDerWaalsContact CD1-CE2 3.45Å; L524-F544 HydrophobicContact CD1-CZ 3.15Å; L524-F544 HydrophobicContact CG-CE2 4.42Å; L524-F544 HydrophobicContact CG-CZ 4.38Å; L524-F544 WeakPolarHBondContact O-CA 2.98Å; L529-F544 HydrophobicContact CD1-CD1 4.41Å; L529-F544 HydrophobicContact CD1-CE1 3.93Å; L529-F544 HydrophobicContact CD2-CE1 4.5Å; R539-F544 VanDerWaalsContact NH1-CZ 3.31Å; F544-S547 VanDerWaalsContact CD1-OG 3.26Å; F544-S547 WeakPolarHBondContact CD1-OG 3.49Å; F544-H562 AromaticContact CD2-CE1 3.12Å; F544-H562 WeakPolarHBondContact CD2-CE1 3.14Å; F544-H562 AromaticContact CD2-NE2 3.24Å; F544-H562 WeakPolarHBondContact CD2-NE2 3.2Å; F544-H562 AromaticContact CE2-CE1 3.27Å; F544-H562 WeakPolarHBondContact CE2-CE1 3.34Å; F544-H562 AromaticContact CE2-NE2 2.92Å; F544-H562 WeakPolarHBondContact CE2-NE2 3.1Å; F544-H562 AromaticContact CG-CE1 3.8Å; F544-H562 AromaticContact CZ-NE2 3.75Å; F544-P563 PolarHBondContact N-O 3.33Å; F544-M564 HydrophobicContact CB-CB 4.28Å; F544-M564 HydrophobicContact CB-CE 4.29Å; F544-M564 HydrophobicContact CB-CG 4.31Å; F544-M564 HydrophobicContact CD1-CE 4.01Å; F544-M564 HydrophobicContact CG-CE 4.18Å; F544-M564 WeakPolarHBondContact O-CA 3.47Å; F544-I565 PolarHBondContact O-N 2.88Å
545	V	86.6	Confident	86.3	Confident	40 Å²	40	36.8 Å²	36.8	24%	0.242	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.6	-179	-175.1	0	0	0	0	109.1	L524 I525 L526 S547 I565	L524-V545 PolarHBondContact O-N 3.19Å; I525-V545 WeakPolarHBondContact CA-O 2.98Å; L526-V545 PolarHBondContact N-O 3.02Å; V545-S547 VanDerWaalsContact C-N 3.31Å; V545-S547 PolarHBondContact O-N 2.88Å; V545-I565 HydrophobicContact CG2-CD1 4.46Å
546	L	87.3	Confident	86.1	Confident	77 Å²	77	38.5 Å²	38.5	40%	0.403	22%	0.217	S	C	.	.	S	Bend	trans	56.9	40.9	177.8	-62.4	165.5	0	0	0	113.6	L526 P548 I565 L566	L526-L546 HydrophobicContact CD2-CB 3.61Å; L526-L546 HydrophobicContact CD2-CD1 3.71Å; L526-L546 HydrophobicContact CD2-CG 4.29Å; L526-L546 HydrophobicContact CG-CB 4.37Å; L546-P548 WeakPolarHBondContact O-CD 2.9Å; L546-I565 PolarHBondContact N-O 2.91Å; L546-L566 HydrophobicContact CD2-CB 3.57Å; L546-L566 HydrophobicContact CD2-CD1 3.8Å; L546-L566 HydrophobicContact CD2-CG 4.31Å; L546-L566 HydrophobicContact CG-CB 4.33Å
547	S	85.4	Confident	85.9	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.			trans	-113.4	97.3	-179.4	53.3	0	0	0	0	109.8	S527 F544 V545 S567	S527-S547 WeakPolarHBondContact O-CB 3.3Å; F544-S547 VanDerWaalsContact CD1-OG 3.26Å; F544-S547 WeakPolarHBondContact CD1-OG 3.49Å; V545-S547 VanDerWaalsContact C-N 3.31Å; V545-S547 PolarHBondContact O-N 2.88Å; S547-S567 WeakPolarHBondContact O-CB 3.49Å
548	P	88.5	Confident	86.1	Confident	51 Å²	51	37.3 Å²	37.3	33%	0.331	21%	0.214	S	C	.	.			trans	-69.9	137.2	174.5	30.1	-35.1	0	0	0	110.5	P528 L529 L546 P568	P528-P548 WeakPolarHBondContact CA-O 2.82Å; P528-P548 HydrophobicContact CB-CG 3.73Å; L529-P548 PolarHBondContact N-O 3.2Å; L546-P548 WeakPolarHBondContact O-CD 2.9Å; P548-P568 HydrophobicContact CB-CG 3.55Å
549	S	88.2	Confident	86.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.4	-179.7	-62.9	0	0	0	0	110.7	L529 P568 V570 D572	L529-S549 WeakPolarHBondContact O-CA 3.26Å; S549-P568 PolarHBondContact N-O 2.85Å; S549-V570 PolarHBondContact O-N 3.26Å; S549-V570 VanDerWaalsContact O-N 3.08Å; S549-D572 WeakPolarHBondContact CB-OD2 3.35Å
550	V	89	Confident	86.3	Confident	58 Å²	58	37.5 Å²	37.5	35%	0.352	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.9	174.1	-176.9	0	0	0	0	109.1	L529 L531 V570	L529-V550 PolarHBondContact O-N 3.21Å; L531-V550 PolarHBondContact N-O 3.46Å; V550-V570 WeakPolarHBondContact CA-O 3.48Å
551	L	87.3	Confident	86.4	Confident	70 Å²	70	38.2 Å²	38.2	37%	0.366	22%	0.216	S	C	.	.	S	Bend	trans	57.6	56.4	-179.4	-67	164.2	0	0	0	112.2	L531 T532 P553 V570 L571 D572	L531-L551 HydrophobicContact CD2-CB 3.74Å; L531-L551 HydrophobicContact CD2-CD1 3.43Å; L531-L551 VanDerWaalsContact CD2-CD1 3.43Å; L531-L551 HydrophobicContact CD2-CG 4.19Å; L531-L551 HydrophobicContact CG-CB 4.38Å; L531-L551 HydrophobicContact CG-CD1 4.25Å; T532-L551 PolarHBondContact N-O 2.79Å; L551-P553 VanDerWaalsContact C-CD 3.41Å; L551-P553 WeakPolarHBondContact O-CD 3.28Å; L551-V570 PolarHBondContact N-O 2.91Å; L551-L571 HydrophobicContact CD2-CB 3.58Å; L551-L571 HydrophobicContact CD2-CD1 3.75Å; L551-L571 HydrophobicContact CD2-CG 4.27Å; L551-L571 HydrophobicContact CG-CB 4.18Å; L551-L571 HydrophobicContact CG-CD1 4.24Å; L551-D572 PolarHBondContact N-OD1 3.48Å
552	F	88.2	Confident	86.5	Confident	17 Å²	17	34.9 Å²	34.9	8%	0.075	20%	0.198	C	C	.	.			trans	-109.5	76.6	179	-172.5	-102.3	0	0	0	110.9	L529 T532 L534 V554 D572	L529-F552 HydrophobicContact CD2-CD2 4.26Å; L529-F552 HydrophobicContact CD2-CE2 3.92Å; T532-F552 WeakPolarHBondContact O-CD2 3.41Å; T532-F552 WeakPolarHBondContact O-CE2 3.45Å; T532-F552 WeakPolarHBondContact OG1-CD2 3.28Å; T532-F552 WeakPolarHBondContact OG1-CE2 3.34Å; L534-F552 HydrophobicContact CB-CE2 4.36Å; L534-F552 HydrophobicContact CB-CZ 3.89Å; L534-F552 HydrophobicContact CD2-CZ 4.18Å; F552-V554 HydrophobicContact CD1-CG2 3.42Å; F552-V554 VanDerWaalsContact CD1-CG2 3.42Å; F552-V554 HydrophobicContact CE1-CG2 3.24Å; F552-V554 HydrophobicContact CZ-CG2 4.25Å; F552-V554 PolarHBondContact O-N 2.87Å; F552-D572 WeakPolarHBondContact CA-OD1 3.42Å; F552-D572 HydrophobicContact CB-CB 4.45Å; F552-D572 VanDerWaalsContact CB-OD1 3.25Å; F552-D572 WeakPolarHBondContact CB-OD1 3.33Å; F552-D572 PolarHBondContact N-OD1 3.43Å
553	P	88	Confident	86.7	Confident	36 Å²	36	36.5 Å²	36.5	23%	0.234	21%	0.208	C	C	.	.			trans	-71.7	131.4	175.8	30.8	-35.1	0	0	0	110.3	P533 L534 L551 P573	P533-P553 HydrophobicContact CB-CG 3.72Å; L534-P553 PolarHBondContact N-O 3.14Å; L551-P553 VanDerWaalsContact C-CD 3.41Å; L551-P553 WeakPolarHBondContact O-CD 3.28Å; P553-P573 WeakPolarHBondContact CA-O 2.87Å; P553-P573 HydrophobicContact CB-CG 3.75Å
554	V	87.6	Confident	86.8	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.1	-179.1	-178.9	0	0	0	0	109.1	L534 F552 S557 L559 P573 V574 V575	L534-V554 HydrophobicContact CD2-CG1 4.42Å; F552-V554 HydrophobicContact CD1-CG2 3.42Å; F552-V554 VanDerWaalsContact CD1-CG2 3.42Å; F552-V554 HydrophobicContact CE1-CG2 3.24Å; F552-V554 HydrophobicContact CZ-CG2 4.25Å; F552-V554 PolarHBondContact O-N 2.87Å; V554-S557 WeakPolarHBondContact CG1-OG 2.94Å; V554-L559 HydrophobicContact CG1-CD1 4.43Å; V554-P573 PolarHBondContact N-O 3.27Å; V554-V574 HydrophobicContact CB-CG2 4.33Å; V554-V575 PolarHBondContact O-N 2.85Å
555	I	88.7	Confident	86.9	Confident	63 Å²	63	38.3 Å²	38.3	32%	0.323	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.1	-175.5	-52.1	174.4	0	0	0	109.1	L534 V535 L536 S557 V575	L534-I555 PolarHBondContact O-N 3.26Å; V535-I555 WeakPolarHBondContact CA-O 3.49Å; V535-I555 HydrophobicContact CG2-CB 4.39Å; V535-I555 HydrophobicContact CG2-CD1 4.35Å; L536-I555 PolarHBondContact N-O 3.12Å; I555-S557 PolarHBondContact O-N 2.87Å; I555-V575 CarbonylContact C-O 3.55Å; I555-V575 WeakPolarHBondContact CA-O 3.34Å
556	L	82.1	Confident	87	Confident	75 Å²	75	40.2 Å²	40.2	39%	0.393	22%	0.223	S	C	.	.	S	Bend	trans	58.2	37.4	173.5	-73.4	160.9	0	0	0	114.8	L536 V575 L576	L536-L556 HydrophobicContact CD2-CB 3.64Å; L536-L556 HydrophobicContact CD2-CD1 4Å; L536-L556 HydrophobicContact CD2-CG 4.35Å; L536-L556 HydrophobicContact CG-CB 4.14Å; L536-L556 HydrophobicContact CG-CD1 4.49Å; L556-V575 PolarHBondContact N-O 3.17Å; L556-L576 VanDerWaalsContact CA-O 3.31Å; L556-L576 WeakPolarHBondContact CA-O 3.46Å; L556-L576 HydrophobicContact CB-CB 4.43Å; L556-L576 HydrophobicContact CD1-CD1 4.15Å; L556-L576 HydrophobicContact CD2-CB 3.41Å; L556-L576 VanDerWaalsContact CD2-CB 3.41Å; L556-L576 HydrophobicContact CD2-CD1 3.68Å; L556-L576 HydrophobicContact CD2-CG 4.04Å; L556-L576 HydrophobicContact CG-CB 3.65Å; L556-L576 HydrophobicContact CG-CD1 3.71Å; L556-L576 HydrophobicContact CG-CG 4.3Å
557	S	79.5	Confident	87	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.			trans	-114.3	105.7	178.6	66.4	0	0	0	0	112.9	G537 V554 I555 L559 S577	G537-S557 VanDerWaalsContact O-CB 3.26Å; G537-S557 WeakPolarHBondContact O-CB 3.49Å; V554-S557 WeakPolarHBondContact CG1-OG 2.94Å; I555-S557 PolarHBondContact O-N 2.87Å; S557-L559 WeakPolarHBondContact O-CD1 3.45Å; S557-L559 PolarHBondContact O-N 2.99Å; S557-S577 VanDerWaalsContact O-CA 3.3Å; S557-S577 WeakPolarHBondContact O-CA 3.48Å; S557-S577 WeakPolarHBondContact O-CB 3.48Å
558	P	86.2	Confident	87.1	Confident	50 Å²	50	38.8 Å²	38.8	33%	0.325	22%	0.219	S	C	.	.			trans	-68.2	129.1	172.9	30	-35.2	0	0	0	109.9	P538 R539 P578	P538-P558 WeakPolarHBondContact CA-O 3.26Å; P538-P558 HydrophobicContact CB-CG 3.5Å; P538-P558 VanDerWaalsContact CB-CG 3.5Å; R539-P558 PolarHBondContact N-O 2.79Å; P558-P578 HydrophobicContact CB-CG 3.52Å
559	L	87.3	Confident	87.1	Confident	15 Å²	15	37.4 Å²	37.4	8%	0.079	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.5	-174.2	-71.4	138.3	0	0	0	109	R539 V554 S557 H562 P578 L579 V580	R539-L559 HydrophobicContact CB-CD2 4.16Å; V554-L559 HydrophobicContact CG1-CD1 4.43Å; S557-L559 WeakPolarHBondContact O-CD1 3.45Å; S557-L559 PolarHBondContact O-N 2.99Å; L559-H562 HydrophobicContact CB-CB 4.4Å; L559-H562 HydrophobicContact CD2-CB 4.28Å; L559-H562 WeakPolarHBondContact CD2-CD2 3.14Å; L559-P578 PolarHBondContact N-O 2.95Å; L559-L579 HydrophobicContact CB-CD2 3.74Å; L559-L579 HydrophobicContact CB-CG 4.45Å; L559-L579 HydrophobicContact CD1-CD2 3.64Å; L559-L579 HydrophobicContact CD1-CG 4.24Å; L559-L579 HydrophobicContact CG-CD2 4.27Å; L559-V580 PolarHBondContact O-N 3.26Å
560	V	87.3	Confident	87.2	Confident	50 Å²	50	40 Å²	40	30%	0.303	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.8	-178.4	-176	0	0	0	0	109.7	R539 V540 L541 V580	R539-V560 PolarHBondContact O-N 3.09Å; V540-V560 CarbonylContact C-O 3.44Å; V540-V560 WeakPolarHBondContact CA-O 3.25Å; V540-V560 HydrophobicContact CG2-CB 4.4Å; L541-V560 PolarHBondContact N-O 2.79Å; V560-V580 WeakPolarHBondContact CA-O 3.48Å; V560-V580 HydrophobicContact CG2-CB 4.43Å
561	L	86.7	Confident	87.1	Confident	70 Å²	70	40.6 Å²	40.6	37%	0.366	23%	0.225	S	C	.	.	S	Bend	trans	57	53.2	-178.9	-65.1	165.4	0	0	0	112.5	L541 P563 V580 L581	L541-L561 HydrophobicContact CD2-CB 3.91Å; L541-L561 HydrophobicContact CD2-CD1 3.54Å; L541-L561 HydrophobicContact CD2-CG 4.32Å; L541-L561 HydrophobicContact CG-CB 4.42Å; L541-L561 HydrophobicContact CG-CD1 4.13Å; L561-P563 VanDerWaalsContact C-CD 3.42Å; L561-P563 WeakPolarHBondContact O-CD 3.4Å; L561-V580 PolarHBondContact N-O 3.48Å; L561-L581 WeakPolarHBondContact CA-O 3.34Å; L561-L581 HydrophobicContact CD2-CB 3.73Å; L561-L581 HydrophobicContact CD2-CD1 3.72Å; L561-L581 HydrophobicContact CD2-CG 4.33Å; L561-L581 HydrophobicContact CG-CB 4.33Å; L561-L581 HydrophobicContact CG-CD1 4.32Å
562	H	86.7	Confident	87.1	Confident	9 Å²	9	37.4 Å²	37.4	4%	0.042	21%	0.208	C	C	.	.			trans	-116.7	71.3	-174.9	-168.4	-70.5	0	0	0	111.1	S542 F544 L559 M564 S582	S542-H562 PolarHBondContact O-CD2 2.97Å; S542-H562 PolarHBondContact OG-CD2 2.95Å; S542-H562 VanDerWaalsContact OG-CD2 3.22Å; F544-H562 AromaticContact CD2-CE1 3.12Å; F544-H562 WeakPolarHBondContact CD2-CE1 3.14Å; F544-H562 AromaticContact CD2-NE2 3.24Å; F544-H562 WeakPolarHBondContact CD2-NE2 3.2Å; F544-H562 AromaticContact CE2-CE1 3.27Å; F544-H562 WeakPolarHBondContact CE2-CE1 3.34Å; F544-H562 AromaticContact CE2-NE2 2.92Å; F544-H562 WeakPolarHBondContact CE2-NE2 3.1Å; F544-H562 AromaticContact CG-CE1 3.8Å; F544-H562 AromaticContact CZ-NE2 3.75Å; L559-H562 HydrophobicContact CB-CB 4.4Å; L559-H562 HydrophobicContact CD2-CB 4.28Å; L559-H562 WeakPolarHBondContact CD2-CD2 3.14Å; H562-M564 PolarHBondContact O-N 2.9Å; H562-S582 WeakPolarHBondContact O-CA 3.36Å; H562-S582 VanDerWaalsContact O-CB 3.31Å; H562-S582 WeakPolarHBondContact O-CB 2.99Å
563	P	87.8	Confident	87.1	Confident	33 Å²	33	38.5 Å²	38.5	21%	0.214	22%	0.217	C	C	.	.			trans	-68.8	131.9	177.8	30.8	-35.6	0	0	0	109.9	P543 F544 L561 P583	P543-P563 HydrophobicContact CB-CG 3.63Å; F544-P563 PolarHBondContact N-O 3.33Å; L561-P563 VanDerWaalsContact C-CD 3.42Å; L561-P563 WeakPolarHBondContact O-CD 3.4Å; P563-P583 WeakPolarHBondContact CA-O 3.2Å; P563-P583 HydrophobicContact CB-CG 3.64Å
564	M	87.8	Confident	87.1	Confident	25 Å²	25	37.4 Å²	37.4	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.1	171.2	-37.8	-179.1	83.6	0	0	109.5	F544 H562 S567 P583 L584 I585	F544-M564 HydrophobicContact CB-CB 4.28Å; F544-M564 HydrophobicContact CB-CE 4.29Å; F544-M564 HydrophobicContact CB-CG 4.31Å; F544-M564 HydrophobicContact CD1-CE 4.01Å; F544-M564 HydrophobicContact CG-CE 4.18Å; F544-M564 WeakPolarHBondContact O-CA 3.47Å; H562-M564 PolarHBondContact O-N 2.9Å; M564-S567 WeakPolarHBondContact CB-OG 3.29Å; M564-P583 PolarHBondContact N-O 3.39Å; M564-L584 HydrophobicContact CB-CD2 3.62Å; M564-L584 HydrophobicContact CG-CD2 3.61Å; M564-L584 HydrophobicContact SD-CD2 3.51Å; M564-L584 VanDerWaalsContact SD-CD2 3.51Å; M564-I585 PolarHBondContact O-N 2.96Å
565	I	88.6	Confident	87.2	Confident	56 Å²	56	38.9 Å²	38.9	29%	0.287	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.3	-173.3	-55.6	169.8	0	0	0	107.9	F544 V545 L546 S567 I585	F544-I565 PolarHBondContact O-N 2.88Å; V545-I565 HydrophobicContact CG2-CD1 4.46Å; L546-I565 PolarHBondContact N-O 2.91Å; I565-S567 VanDerWaalsContact C-N 3.25Å; I565-S567 PolarHBondContact O-N 3.28Å; I565-I585 WeakPolarHBondContact CA-O 3.31Å; I565-I585 HydrophobicContact CG1-CB 4.48Å; I565-I585 HydrophobicContact CG1-CD1 4.39Å
566	L	88.2	Confident	87.1	Confident	79 Å²	79	39.4 Å²	39.4	41%	0.414	22%	0.222	S	C	.	.	S	Bend	trans	56.9	35.3	177.4	-63	164.9	0	0	0	113.9	L546 I585 L586	L546-L566 HydrophobicContact CD2-CB 3.57Å; L546-L566 HydrophobicContact CD2-CD1 3.8Å; L546-L566 HydrophobicContact CD2-CG 4.31Å; L546-L566 HydrophobicContact CG-CB 4.33Å; L566-I585 PolarHBondContact N-O 2.93Å; L566-L586 HydrophobicContact CD2-CB 3.54Å; L566-L586 HydrophobicContact CD2-CD1 3.81Å; L566-L586 HydrophobicContact CD2-CG 4.3Å; L566-L586 HydrophobicContact CG-CB 4.25Å; L566-L586 HydrophobicContact CG-CD1 4.47Å
567	S	87.5	Confident	87.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.			trans	-103.9	109	175.4	52.5	0	0	0	0	109.7	S547 M564 I565 L569 S587	S547-S567 WeakPolarHBondContact O-CB 3.49Å; M564-S567 WeakPolarHBondContact CB-OG 3.29Å; I565-S567 VanDerWaalsContact C-N 3.25Å; I565-S567 PolarHBondContact O-N 3.28Å; S567-L569 WeakPolarHBondContact O-CD1 3.21Å; S567-S587 VanDerWaalsContact O-CA 3.24Å; S567-S587 WeakPolarHBondContact O-CA 3.2Å; S567-S587 WeakPolarHBondContact O-CB 3.49Å
568	P	88.8	Confident	87.5	Confident	48 Å²	48	38 Å²	38	31%	0.312	22%	0.217	S	C	.	.			trans	-72.2	137	169.4	30	-35.2	0	0	0	110.6	P548 S549 P588	P548-P568 HydrophobicContact CB-CG 3.55Å; S549-P568 PolarHBondContact N-O 2.85Å; P568-P588 CarbonylContact C-O 3.12Å; P568-P588 WeakPolarHBondContact CA-O 3.47Å; P568-P588 HydrophobicContact CB-CG 3.79Å
569	L	88.2	Confident	87.6	Confident	22 Å²	22	36.5 Å²	36.5	12%	0.115	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.1	179.9	-76.5	74.3	0	0	0	110	S567 D572 P588 S589 V590	S567-L569 WeakPolarHBondContact O-CD1 3.21Å; L569-D572 WeakPolarHBondContact CA-OD2 3.5Å; L569-D572 HydrophobicContact CB-CB 4.48Å; L569-D572 VanDerWaalsContact CB-OD2 3.26Å; L569-D572 WeakPolarHBondContact CB-OD2 3.15Å; L569-D572 HydrophobicContact CD2-CB 4.39Å; L569-D572 WeakPolarHBondContact CG-OD2 3.37Å; L569-P588 PolarHBondContact N-O 3.11Å; L569-S589 VanDerWaalsContact O-CA 3.32Å; L569-S589 WeakPolarHBondContact O-CA 3.39Å; L569-V590 PolarHBondContact O-N 2.85Å
570	V	88.9	Confident	87.6	Confident	56 Å²	56	38.1 Å²	38.1	34%	0.339	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118.6	179.7	-177.6	0	0	0	0	109.8	S549 V550 L551	S549-V570 PolarHBondContact O-N 3.26Å; S549-V570 VanDerWaalsContact O-N 3.08Å; V550-V570 WeakPolarHBondContact CA-O 3.48Å; L551-V570 PolarHBondContact N-O 2.91Å
571	L	87.3	Confident	87.6	Confident	70 Å²	70	39.1 Å²	39.1	37%	0.366	22%	0.22	S	C	.	.	S	Bend	trans	61.7	47.5	-179.4	-61.6	163.1	0	0	0	113.5	L551 P573 V590 L591	L551-L571 HydrophobicContact CD2-CB 3.58Å; L551-L571 HydrophobicContact CD2-CD1 3.75Å; L551-L571 HydrophobicContact CD2-CG 4.27Å; L551-L571 HydrophobicContact CG-CB 4.18Å; L551-L571 HydrophobicContact CG-CD1 4.24Å; L571-P573 WeakPolarHBondContact O-CD 3.41Å; L571-V590 PolarHBondContact N-O 3.06Å; L571-L591 HydrophobicContact CD2-CB 3.67Å; L571-L591 HydrophobicContact CD2-CD1 3.58Å; L571-L591 HydrophobicContact CD2-CG 4.26Å; L571-L591 HydrophobicContact CG-CB 4.44Å
572	D	88	Confident	87.6	Confident	2 Å²	2	36 Å²	36	1%	0.011	21%	0.205	C	C	.	.			trans	-111.8	83.5	-176.1	-63.6	-15.5	0	0	0	110.7	S549 L551 F552 L569 S592	S549-D572 WeakPolarHBondContact CB-OD2 3.35Å; L551-D572 PolarHBondContact N-OD1 3.48Å; F552-D572 WeakPolarHBondContact CA-OD1 3.42Å; F552-D572 HydrophobicContact CB-CB 4.45Å; F552-D572 VanDerWaalsContact CB-OD1 3.25Å; F552-D572 WeakPolarHBondContact CB-OD1 3.33Å; F552-D572 PolarHBondContact N-OD1 3.43Å; L569-D572 WeakPolarHBondContact CA-OD2 3.5Å; L569-D572 HydrophobicContact CB-CB 4.48Å; L569-D572 VanDerWaalsContact CB-OD2 3.26Å; L569-D572 WeakPolarHBondContact CB-OD2 3.15Å; L569-D572 HydrophobicContact CD2-CB 4.39Å; L569-D572 WeakPolarHBondContact CG-OD2 3.37Å; D572-S592 WeakPolarHBondContact O-CA 3.35Å; D572-S592 VanDerWaalsContact O-CB 3.28Å; D572-S592 WeakPolarHBondContact O-CB 3.41Å
573	P	88.1	Confident	87.6	Confident	41 Å²	41	37.1 Å²	37.1	27%	0.266	21%	0.212	S	C	.	.			trans	-73.7	135.4	176.5	30.3	-34.9	0	0	0	111.1	P553 V554 L571 P593	P553-P573 WeakPolarHBondContact CA-O 2.87Å; P553-P573 HydrophobicContact CB-CG 3.75Å; V554-P573 PolarHBondContact N-O 3.27Å; L571-P573 WeakPolarHBondContact O-CD 3.41Å; P573-P593 HydrophobicContact CB-CG 3.93Å
574	V	88.6	Confident	87.6	Confident	13 Å²	13	36.5 Å²	36.5	8%	0.079	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.6	-176.3	180	0	0	0	0	109.2	V554 S577 L579 P593 F594 I595	V554-V574 HydrophobicContact CB-CG2 4.33Å; V574-S577 WeakPolarHBondContact CG1-OG 3.49Å; V574-L579 HydrophobicContact CG1-CD1 4.49Å; V574-P593 PolarHBondContact N-O 2.91Å; V574-F594 HydrophobicContact CB-CD1 3.7Å; V574-F594 HydrophobicContact CB-CE1 3.89Å; V574-F594 HydrophobicContact CB-CG 4.44Å; V574-F594 HydrophobicContact CG1-CD1 3.81Å; V574-F594 HydrophobicContact CG1-CE1 3.97Å; V574-F594 HydrophobicContact CG2-CD1 4.18Å; V574-F594 HydrophobicContact CG2-CE1 3.86Å; V574-F594 HydrophobicContact CG2-CZ 4.41Å; V574-F594 WeakPolarHBondContact O-CA 3.47Å; V574-I595 PolarHBondContact O-N 3.43Å
575	V	88.1	Confident	87.6	Confident	40 Å²	40	37.7 Å²	37.7	24%	0.242	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.6	-173.2	-175.5	0	0	0	0	110.1	V554 I555 L556 S577 I595	V554-V575 PolarHBondContact O-N 2.85Å; I555-V575 CarbonylContact C-O 3.55Å; I555-V575 WeakPolarHBondContact CA-O 3.34Å; L556-V575 PolarHBondContact N-O 3.17Å; V575-S577 PolarHBondContact O-N 2.83Å; V575-S577 VanDerWaalsContact O-N 3.12Å; V575-S577 PolarHBondContact O-OG 2.9Å; V575-I595 WeakPolarHBondContact CA-O 3.42Å; V575-I595 HydrophobicContact CG2-CB 4.4Å; V575-I595 HydrophobicContact CG2-CD1 4.45Å
576	L	86.8	Confident	87.5	Confident	73 Å²	73	38.4 Å²	38.4	38%	0.382	22%	0.217	S	C	.	.	S	Bend	trans	56	29.3	173	-62.9	162.2	0	0	0	115.3	L556 I595 L596	L556-L576 VanDerWaalsContact CA-O 3.31Å; L556-L576 WeakPolarHBondContact CA-O 3.46Å; L556-L576 HydrophobicContact CB-CB 4.43Å; L556-L576 HydrophobicContact CD1-CD1 4.15Å; L556-L576 HydrophobicContact CD2-CB 3.41Å; L556-L576 VanDerWaalsContact CD2-CB 3.41Å; L556-L576 HydrophobicContact CD2-CD1 3.68Å; L556-L576 HydrophobicContact CD2-CG 4.04Å; L556-L576 HydrophobicContact CG-CB 3.65Å; L556-L576 HydrophobicContact CG-CD1 3.71Å; L556-L576 HydrophobicContact CG-CG 4.3Å; L576-I595 PolarHBondContact N-O 3.12Å; L576-I595 VanDerWaalsContact N-O 3.14Å; L576-L596 HydrophobicContact CD2-CB 3.9Å; L576-L596 HydrophobicContact CD2-CD1 3.77Å; L576-L596 HydrophobicContact CD2-CG 4.49Å; L576-L596 HydrophobicContact CG-CB 4.48Å; L576-L596 HydrophobicContact CG-CD1 4.46Å
577	S	82.8	Confident	87.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.			trans	-116.2	100.6	-175.3	23	0	0	0	0	109.4	S557 V574 V575 S597	S557-S577 VanDerWaalsContact O-CA 3.3Å; S557-S577 WeakPolarHBondContact O-CA 3.48Å; S557-S577 WeakPolarHBondContact O-CB 3.48Å; V574-S577 WeakPolarHBondContact CG1-OG 3.49Å; V575-S577 PolarHBondContact O-N 2.83Å; V575-S577 VanDerWaalsContact O-N 3.12Å; V575-S577 PolarHBondContact O-OG 2.9Å; S577-S597 VanDerWaalsContact O-CB 3.24Å; S577-S597 WeakPolarHBondContact O-CB 3.48Å
578	P	87	Confident	87.3	Confident	46 Å²	46	37.3 Å²	37.3	30%	0.299	22%	0.215	S	C	.	.			trans	-70	132	176.3	29.6	-35.9	0	0	0	110.3	P558 L559 P598	P558-P578 HydrophobicContact CB-CG 3.52Å; L559-P578 PolarHBondContact N-O 2.95Å; P578-P598 HydrophobicContact CB-CG 3.59Å
579	L	88.3	Confident	87.2	Confident	18 Å²	18	35.6 Å²	35.6	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.8	-175.2	-75.7	150.1	0	0	0	109.7	L559 V574 S582 F594 P598 L599 V600	L559-L579 HydrophobicContact CB-CD2 3.74Å; L559-L579 HydrophobicContact CB-CG 4.45Å; L559-L579 HydrophobicContact CD1-CD2 3.64Å; L559-L579 HydrophobicContact CD1-CG 4.24Å; L559-L579 HydrophobicContact CG-CD2 4.27Å; V574-L579 HydrophobicContact CG1-CD1 4.49Å; L579-S582 WeakPolarHBondContact CD2-OG 3.37Å; L579-F594 HydrophobicContact CD1-CD1 4.29Å; L579-F594 HydrophobicContact CD1-CE1 3.96Å; L579-P598 PolarHBondContact N-O 3.28Å; L579-L599 HydrophobicContact CB-CD2 3.71Å; L579-L599 HydrophobicContact CD1-CD2 3.32Å; L579-L599 HydrophobicContact CG-CD2 4.14Å; L579-V600 PolarHBondContact O-N 2.9Å
580	V	88.2	Confident	87.1	Confident	49 Å²	49	37.1 Å²	37.1	30%	0.297	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.3	-179.5	-175.2	0	0	0	0	109.7	L559 V560 L561 S582 V600	L559-V580 PolarHBondContact O-N 3.26Å; V560-V580 WeakPolarHBondContact CA-O 3.48Å; V560-V580 HydrophobicContact CG2-CB 4.43Å; L561-V580 PolarHBondContact N-O 3.48Å; V580-S582 VanDerWaalsContact C-N 3.34Å; V580-S582 PolarHBondContact O-N 3.36Å; V580-V600 WeakPolarHBondContact CA-O 3.42Å; V580-V600 HydrophobicContact CG2-CB 4.42Å
581	L	86.8	Confident	86.9	Confident	72 Å²	72	38.1 Å²	38.1	38%	0.377	22%	0.218	S	C	.	.	S	Bend	trans	57.2	42	178.8	-63.5	164.7	0	0	0	113.7	L561 P583 V600 L601	L561-L581 WeakPolarHBondContact CA-O 3.34Å; L561-L581 HydrophobicContact CD2-CB 3.73Å; L561-L581 HydrophobicContact CD2-CD1 3.72Å; L561-L581 HydrophobicContact CD2-CG 4.33Å; L561-L581 HydrophobicContact CG-CB 4.33Å; L561-L581 HydrophobicContact CG-CD1 4.32Å; L581-P583 WeakPolarHBondContact O-CD 3.46Å; L581-V600 PolarHBondContact N-O 2.9Å; L581-L601 HydrophobicContact CD2-CB 3.61Å; L581-L601 HydrophobicContact CD2-CD1 3.7Å; L581-L601 HydrophobicContact CD2-CG 4.28Å; L581-L601 HydrophobicContact CG-CB 4.28Å; L581-L601 HydrophobicContact CG-CD1 4.39Å
582	S	86.9	Confident	86.7	Confident	5 Å²	5	34.9 Å²	34.9	4%	0.035	20%	0.201	C	C	.	.			trans	-110.2	82.1	179.3	59.3	0	0	0	0	110.9	H562 L579 V580 S602	H562-S582 WeakPolarHBondContact O-CA 3.36Å; H562-S582 VanDerWaalsContact O-CB 3.31Å; H562-S582 WeakPolarHBondContact O-CB 2.99Å; L579-S582 WeakPolarHBondContact CD2-OG 3.37Å; V580-S582 VanDerWaalsContact C-N 3.34Å; V580-S582 PolarHBondContact O-N 3.36Å; S582-S602 VanDerWaalsContact O-CB 3.26Å; S582-S602 WeakPolarHBondContact O-CB 3.18Å; S582-S602 WeakPolarHBondContact OG-CB 3.38Å
583	P	87.5	Confident	86.6	Confident	31 Å²	31	36.8 Å²	36.8	20%	0.201	21%	0.213	C	C	.	.			trans	-70.6	136	177.4	30.1	-35.8	0	0	0	111	P563 M564 L581 I585 P603	P563-P583 WeakPolarHBondContact CA-O 3.2Å; P563-P583 HydrophobicContact CB-CG 3.64Å; M564-P583 PolarHBondContact N-O 3.39Å; L581-P583 WeakPolarHBondContact O-CD 3.46Å; P583-I585 HydrophobicContact CB-CD1 4.49Å; P583-I585 HydrophobicContact CB-CG1 4.39Å; P583-P603 WeakPolarHBondContact CA-O 3.3Å; P583-P603 HydrophobicContact CB-CG 3.71Å
584	L	87.3	Confident	86.5	Confident	20 Å²	20	35.8 Å²	35.8	11%	0.105	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.9	176	-71.5	170.7	0	0	0	108.8	M564 P603 F604 I605	M564-L584 HydrophobicContact CB-CD2 3.62Å; M564-L584 HydrophobicContact CG-CD2 3.61Å; M564-L584 HydrophobicContact SD-CD2 3.51Å; M564-L584 VanDerWaalsContact SD-CD2 3.51Å; L584-P603 PolarHBondContact N-O 2.87Å; L584-F604 HydrophobicContact CB-CD1 3.98Å; L584-F604 HydrophobicContact CB-CE1 4.47Å; L584-F604 HydrophobicContact CB-CG 4.46Å; L584-F604 HydrophobicContact CD1-CD1 3.45Å; L584-F604 VanDerWaalsContact CD1-CD1 3.45Å; L584-F604 HydrophobicContact CD1-CE1 3.07Å; L584-F604 HydrophobicContact CD1-CE2 4.5Å; L584-F604 HydrophobicContact CD1-CG 4.35Å; L584-F604 HydrophobicContact CD1-CZ 3.66Å; L584-F604 HydrophobicContact CG-CD1 4.32Å; L584-F604 HydrophobicContact CG-CE1 4.32Å; L584-F604 CarbonylContact O-C 3.58Å; L584-I605 PolarHBondContact O-N 3.45Å
585	I	87.2	Confident	86.4	Confident	51 Å²	51	38.1 Å²	38.1	26%	0.262	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.3	-172	-52.7	176.6	0	0	0	109.1	M564 I565 L566 P583 S587 I605	M564-I585 PolarHBondContact O-N 2.96Å; I565-I585 WeakPolarHBondContact CA-O 3.31Å; I565-I585 HydrophobicContact CG1-CB 4.48Å; I565-I585 HydrophobicContact CG1-CD1 4.39Å; L566-I585 PolarHBondContact N-O 2.93Å; P583-I585 HydrophobicContact CB-CD1 4.49Å; P583-I585 HydrophobicContact CB-CG1 4.39Å; I585-S587 PolarHBondContact O-N 3.32Å; I585-I605 HydrophobicContact CG1-CB 4.48Å; I585-I605 HydrophobicContact CG1-CD1 4.3Å
586	L	86.5	Confident	86.4	Confident	70 Å²	70	39.9 Å²	39.9	37%	0.366	22%	0.224	S	C	.	.	S	Bend	trans	56.1	32.1	177.4	-62.8	165.6	0	0	0	114	L566 P588 I605 R606	L566-L586 HydrophobicContact CD2-CB 3.54Å; L566-L586 HydrophobicContact CD2-CD1 3.81Å; L566-L586 HydrophobicContact CD2-CG 4.3Å; L566-L586 HydrophobicContact CG-CB 4.25Å; L566-L586 HydrophobicContact CG-CD1 4.47Å; L586-P588 WeakPolarHBondContact O-CD 3.41Å; L586-I605 PolarHBondContact N-O 3.46Å; L586-R606 HydrophobicContact CD2-CB 3.81Å; L586-R606 HydrophobicContact CD2-CG 3.66Å
587	S	86.4	Confident	86.4	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.021	21%	0.206	C	C	.	.			trans	-102.5	97.9	179.4	51.8	0	0	0	0	110.4	S567 I585 S607	S567-S587 VanDerWaalsContact O-CA 3.24Å; S567-S587 WeakPolarHBondContact O-CA 3.2Å; S567-S587 WeakPolarHBondContact O-CB 3.49Å; I585-S587 PolarHBondContact O-N 3.32Å; S587-S607 WeakPolarHBondContact O-CA 3.36Å; S587-S607 WeakPolarHBondContact O-CB 3.35Å
588	P	86.6	Confident	86.6	Confident	54 Å²	54	38.6 Å²	38.6	35%	0.351	22%	0.22	S	C	.	.			trans	-70.4	141.5	175.8	30.6	-35.1	0	0	0	110.6	P568 L569 L586 P608	P568-P588 CarbonylContact C-O 3.12Å; P568-P588 WeakPolarHBondContact CA-O 3.47Å; P568-P588 HydrophobicContact CB-CG 3.79Å; L569-P588 PolarHBondContact N-O 3.11Å; L586-P588 WeakPolarHBondContact O-CD 3.41Å; P588-P608 WeakPolarHBondContact CA-O 3.47Å; P588-P608 HydrophobicContact CB-CG 3.87Å
589	S	86.5	Confident	86.6	Confident	12 Å²	12	36.5 Å²	36.5	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.5	-175.7	35.4	0	0	0	0	112.5	L569 P608 G609 H610 E612	L569-S589 VanDerWaalsContact O-CA 3.32Å; L569-S589 WeakPolarHBondContact O-CA 3.39Å; S589-P608 PolarHBondContact N-O 3.17Å; S589-G609 WeakPolarHBondContact O-CA 3.23Å; S589-H610 PolarHBondContact O-N 3.4Å; S589-E612 WeakPolarHBondContact CB-OE1 3.36Å; S589-E612 PolarHBondContact OG-OE1 3.5Å
590	V	85.4	Confident	86.5	Confident	54 Å²	54	38.1 Å²	38.1	33%	0.327	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.5	178.4	-176.1	0	0	0	0	109.5	L569 L571 S592 H610	L569-V590 PolarHBondContact O-N 2.85Å; L571-V590 PolarHBondContact N-O 3.06Å; V590-S592 PolarHBondContact O-N 3.35Å; V590-H610 WeakPolarHBondContact CA-O 3.38Å; V590-H610 HydrophobicContact CG2-CB 4.41Å
591	L	83.8	Confident	86.3	Confident	77 Å²	77	39.3 Å²	39.3	40%	0.403	22%	0.221	S	C	.	.	S	Bend	trans	55.4	49.7	177.9	-68.3	167.5	0	0	0	113.8	L571 P593 H610 L611	L571-L591 HydrophobicContact CD2-CB 3.67Å; L571-L591 HydrophobicContact CD2-CD1 3.58Å; L571-L591 HydrophobicContact CD2-CG 4.26Å; L571-L591 HydrophobicContact CG-CB 4.44Å; L591-P593 WeakPolarHBondContact O-CD 3.38Å; L591-H610 PolarHBondContact N-O 3.02Å; L591-L611 WeakPolarHBondContact CA-O 3.46Å; L591-L611 HydrophobicContact CD2-CB 3.61Å; L591-L611 HydrophobicContact CD2-CD1 3.82Å; L591-L611 HydrophobicContact CD2-CG 4.32Å; L591-L611 HydrophobicContact CG-CB 4.17Å; L591-L611 HydrophobicContact CG-CD1 4.25Å
592	S	84.1	Confident	86.2	Confident	2 Å²	2	36 Å²	36	1%	0.014	20%	0.204	C	C	.	.			trans	-117	86.3	179.1	51.6	0	0	0	0	111.2	D572 V590	D572-S592 WeakPolarHBondContact O-CA 3.35Å; D572-S592 VanDerWaalsContact O-CB 3.28Å; D572-S592 WeakPolarHBondContact O-CB 3.41Å; V590-S592 PolarHBondContact O-N 3.35Å
593	P	85.4	Confident	86	Confident	41 Å²	41	37.2 Å²	37.2	27%	0.266	21%	0.212	S	C	.	.			trans	-76.4	135.9	175.8	30.5	-34	0	0	0	111.5	P573 V574 L591 A613	P573-P593 HydrophobicContact CB-CG 3.93Å; V574-P593 PolarHBondContact N-O 2.91Å; L591-P593 WeakPolarHBondContact O-CD 3.38Å; P593-A613 CarbonylContact C-O 3.46Å; P593-A613 WeakPolarHBondContact CA-O 3.19Å; P593-A613 HydrophobicContact CB-CB 4.4Å
594	F	86.9	Confident	85.8	Confident	20 Å²	20	37 Å²	37	9%	0.088	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.1	172.2	-73.4	-87.6	0	0	0	109.4	V574 L579 S597 A613 L614 V615	V574-F594 HydrophobicContact CB-CD1 3.7Å; V574-F594 HydrophobicContact CB-CE1 3.89Å; V574-F594 HydrophobicContact CB-CG 4.44Å; V574-F594 HydrophobicContact CG1-CD1 3.81Å; V574-F594 HydrophobicContact CG1-CE1 3.97Å; V574-F594 HydrophobicContact CG2-CD1 4.18Å; V574-F594 HydrophobicContact CG2-CE1 3.86Å; V574-F594 HydrophobicContact CG2-CZ 4.41Å; V574-F594 WeakPolarHBondContact O-CA 3.47Å; L579-F594 HydrophobicContact CD1-CD1 4.29Å; L579-F594 HydrophobicContact CD1-CE1 3.96Å; F594-S597 WeakPolarHBondContact CB-OG 3.27Å; F594-A613 PolarHBondContact N-O 3.5Å; F594-L614 HydrophobicContact CB-CD2 3.71Å; F594-L614 HydrophobicContact CB-CG 4.41Å; F594-L614 HydrophobicContact CD2-CD2 4.44Å; F594-L614 HydrophobicContact CG-CD2 4.21Å; F594-L614 WeakPolarHBondContact O-CA 3.48Å; F594-V615 PolarHBondContact O-N 2.97Å
595	I	86.7	Confident	85.5	Confident	62 Å²	62	39.1 Å²	39.1	32%	0.318	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.1	-176.5	-53.9	171.5	0	0	0	109	V574 V575 L576 S597 V615	V574-I595 PolarHBondContact O-N 3.43Å; V575-I595 WeakPolarHBondContact CA-O 3.42Å; V575-I595 HydrophobicContact CG2-CB 4.4Å; V575-I595 HydrophobicContact CG2-CD1 4.45Å; L576-I595 PolarHBondContact N-O 3.12Å; L576-I595 VanDerWaalsContact N-O 3.14Å; I595-S597 PolarHBondContact O-N 3.37Å; I595-V615 WeakPolarHBondContact CA-O 3.48Å
596	L	86.6	Confident	85.2	Confident	78 Å²	78	43.6 Å²	43.6	41%	0.408	23%	0.232	S	C	.	.	S	Bend	trans	54.7	34.5	179.2	-62.6	167.1	0	0	0	113.7	L576 P598 V615 L616	L576-L596 HydrophobicContact CD2-CB 3.9Å; L576-L596 HydrophobicContact CD2-CD1 3.77Å; L576-L596 HydrophobicContact CD2-CG 4.49Å; L576-L596 HydrophobicContact CG-CB 4.48Å; L576-L596 HydrophobicContact CG-CD1 4.46Å; L596-P598 WeakPolarHBondContact O-CD 3.28Å; L596-V615 PolarHBondContact N-O 3.34Å; L596-L616 HydrophobicContact CD2-CB 3.63Å; L596-L616 HydrophobicContact CD2-CD1 4.02Å; L596-L616 HydrophobicContact CD2-CG 4.46Å; L596-L616 HydrophobicContact CG-CB 4.36Å
597	S	87.3	Confident	85	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.			trans	-112.4	95.2	-178.6	38.7	0	0	0	0	110.3	S577 F594 I595 L599 S617	S577-S597 VanDerWaalsContact O-CB 3.24Å; S577-S597 WeakPolarHBondContact O-CB 3.48Å; F594-S597 WeakPolarHBondContact CB-OG 3.27Å; I595-S597 PolarHBondContact O-N 3.37Å; S597-L599 PolarHBondContact O-N 2.88Å; S597-S617 WeakPolarHBondContact O-CB 3.33Å
598	P	87.4	Confident	84.7	Confident	46 Å²	46	42.7 Å²	42.7	30%	0.299	23%	0.23	S	C	.	.			trans	-65.9	134.4	176.6	29	-35.9	0	0	0	110.4	P578 L579 L596 P618	P578-P598 HydrophobicContact CB-CG 3.59Å; L579-P598 PolarHBondContact N-O 3.28Å; L596-P598 WeakPolarHBondContact O-CD 3.28Å; P598-P618 WeakPolarHBondContact CA-O 3.38Å; P598-P618 HydrophobicContact CB-CG 3.79Å
599	L	87.6	Confident	84.3	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.7	-177.2	-62.7	-173.8	0	0	0	110.3	L579 S597 S602 F604 L614 P618 R619 V620	L579-L599 HydrophobicContact CB-CD2 3.71Å; L579-L599 HydrophobicContact CD1-CD2 3.32Å; L579-L599 HydrophobicContact CG-CD2 4.14Å; S597-L599 PolarHBondContact O-N 2.88Å; L599-S602 WeakPolarHBondContact CB-OG 3.28Å; L599-F604 HydrophobicContact CD1-CE2 4.14Å; L599-F604 HydrophobicContact CD1-CZ 4.43Å; L599-L614 HydrophobicContact CD1-CD2 4.15Å; L599-P618 PolarHBondContact N-O 3.31Å; L599-R619 HydrophobicContact CB-CG 4.25Å; L599-R619 HydrophobicContact CD1-CG 4.13Å; L599-R619 HydrophobicContact CG-CG 4.48Å; L599-R619 CarbonylContact O-C 3.47Å; L599-R619 WeakPolarHBondContact O-CA 3.5Å; L599-V620 PolarHBondContact O-N 2.92Å
600	V	86.5	Confident	83.8	Confident	52 Å²	52	44.2 Å²	44.2	32%	0.315	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.4	176.7	-175.9	0	0	0	0	110.1	L579 V580 L581 S602 V620	L579-V600 PolarHBondContact O-N 2.9Å; V580-V600 WeakPolarHBondContact CA-O 3.42Å; V580-V600 HydrophobicContact CG2-CB 4.42Å; L581-V600 PolarHBondContact N-O 2.9Å; V600-S602 VanDerWaalsContact C-N 3.25Å; V600-S602 PolarHBondContact O-N 2.86Å; V600-V620 WeakPolarHBondContact CA-O 3.47Å; V600-V620 HydrophobicContact CG2-CB 4.5Å
601	L	83.4	Confident	83.3	Confident	74 Å²	74	45.4 Å²	45.4	39%	0.387	24%	0.235	S	C	.	.	S	Bend	trans	55.1	36.9	177.8	-63.2	165.9	0	0	0	113.9	L581 P603 V620 L621	L581-L601 HydrophobicContact CD2-CB 3.61Å; L581-L601 HydrophobicContact CD2-CD1 3.7Å; L581-L601 HydrophobicContact CD2-CG 4.28Å; L581-L601 HydrophobicContact CG-CB 4.28Å; L581-L601 HydrophobicContact CG-CD1 4.39Å; L601-P603 WeakPolarHBondContact O-CD 3.42Å; L601-V620 PolarHBondContact N-O 3.08Å; L601-L621 HydrophobicContact CD2-CB 3.61Å; L601-L621 HydrophobicContact CD2-CD1 3.73Å; L601-L621 HydrophobicContact CD2-CG 4.32Å; L601-L621 HydrophobicContact CG-CB 4.37Å
602	S	84.4	Confident	83	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.021	22%	0.22	C	C	.	.			trans	-108.8	83.4	178.7	46.7	0	0	0	0	110.9	S582 L599 V600 S622	S582-S602 VanDerWaalsContact O-CB 3.26Å; S582-S602 WeakPolarHBondContact O-CB 3.18Å; S582-S602 WeakPolarHBondContact OG-CB 3.38Å; L599-S602 WeakPolarHBondContact CB-OG 3.28Å; V600-S602 VanDerWaalsContact C-N 3.25Å; V600-S602 PolarHBondContact O-N 2.86Å; S602-S622 WeakPolarHBondContact O-CB 3.41Å
603	P	82.5	Confident	82.8	Confident	30 Å²	30	43.6 Å²	43.6	20%	0.195	23%	0.229	C	C	.	.			trans	-72.7	138.9	178.9	30.6	-36.1	0	0	0	111.3	P583 L584 L601 I605 P623	P583-P603 WeakPolarHBondContact CA-O 3.3Å; P583-P603 HydrophobicContact CB-CG 3.71Å; L584-P603 PolarHBondContact N-O 2.87Å; L601-P603 WeakPolarHBondContact O-CD 3.42Å; P603-I605 HydrophobicContact CB-CG1 4.31Å; P603-P623 WeakPolarHBondContact CA-O 3.46Å; P603-P623 HydrophobicContact CB-CG 3.68Å
604	F	83.3	Confident	82.7	Confident	27 Å²	27	42 Å²	42	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.5	170.2	-67	-103.5	0	0	0	108.6	L584 L599 P623 L624 V625 T627	L584-F604 HydrophobicContact CB-CD1 3.98Å; L584-F604 HydrophobicContact CB-CE1 4.47Å; L584-F604 HydrophobicContact CB-CG 4.46Å; L584-F604 HydrophobicContact CD1-CD1 3.45Å; L584-F604 VanDerWaalsContact CD1-CD1 3.45Å; L584-F604 HydrophobicContact CD1-CE1 3.07Å; L584-F604 HydrophobicContact CD1-CE2 4.5Å; L584-F604 HydrophobicContact CD1-CG 4.35Å; L584-F604 HydrophobicContact CD1-CZ 3.66Å; L584-F604 HydrophobicContact CG-CD1 4.32Å; L584-F604 HydrophobicContact CG-CE1 4.32Å; L584-F604 CarbonylContact O-C 3.58Å; L599-F604 HydrophobicContact CD1-CE2 4.14Å; L599-F604 HydrophobicContact CD1-CZ 4.43Å; F604-P623 PolarHBondContact N-O 3.02Å; F604-L624 HydrophobicContact CB-CG 4.39Å; F604-V625 PolarHBondContact O-N 3.44Å; F604-T627 HydrophobicContact CB-CG2 3.95Å; F604-T627 WeakPolarHBondContact O-CG2 3.3Å
605	I	82.1	Confident	82.5	Confident	63 Å²	63	43 Å²	43	32%	0.323	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	110.2	-173.9	-52.9	177.4	0	0	0	109.3	L584 I585 L586 P603 S607 V625	L584-I605 PolarHBondContact O-N 3.45Å; I585-I605 HydrophobicContact CG1-CB 4.48Å; I585-I605 HydrophobicContact CG1-CD1 4.3Å; L586-I605 PolarHBondContact N-O 3.46Å; P603-I605 HydrophobicContact CB-CG1 4.31Å; I605-S607 PolarHBondContact O-N 2.96Å; I605-S607 VanDerWaalsContact O-N 3.09Å; I605-V625 WeakPolarHBondContact CA-O 3.09Å; I605-V625 HydrophobicContact CG1-CB 4.36Å
606	R	80.9	Confident	82.5	Confident	145 Å²	145	43.8 Å²	43.8	55%	0.547	23%	0.23	S	C	.	.	S	Bend	trans	51.8	31.5	177.5	-165	173.3	159.3	117.7	-2.6	113.7	L586 P608 V625	L586-R606 HydrophobicContact CD2-CB 3.81Å; L586-R606 HydrophobicContact CD2-CG 3.66Å; R606-P608 VanDerWaalsContact O-CD 3.29Å; R606-P608 WeakPolarHBondContact O-CD 3.41Å; R606-V625 PolarHBondContact N-O 2.88Å
607	S	81	Confident	82.4	Confident	6 Å²	6	40 Å²	40	4%	0.042	21%	0.211	C	C	.	.			trans	-91.6	103.2	167.7	49.8	0	0	0	0	109.9	S587 I605 T627	S587-S607 WeakPolarHBondContact O-CA 3.36Å; S587-S607 WeakPolarHBondContact O-CB 3.35Å; I605-S607 PolarHBondContact O-N 2.96Å; I605-S607 VanDerWaalsContact O-N 3.09Å; S607-T627 VanDerWaalsContact O-CB 3.31Å; S607-T627 WeakPolarHBondContact O-CB 3.45Å; S607-T627 WeakPolarHBondContact O-CG2 3.49Å; S607-T627 VanDerWaalsContact OG-CG2 3.32Å; S607-T627 WeakPolarHBondContact OG-CG2 3.33Å
608	P	80.4	Confident	82.3	Confident	49 Å²	49	42.6 Å²	42.6	32%	0.318	23%	0.227	S	C	.	.			trans	-76.3	138.8	174.1	31.1	-33.4	0	0	0	111.1	P588 S589 R606 K628	P588-P608 WeakPolarHBondContact CA-O 3.47Å; P588-P608 HydrophobicContact CB-CG 3.87Å; S589-P608 PolarHBondContact N-O 3.17Å; R606-P608 VanDerWaalsContact O-CD 3.29Å; R606-P608 WeakPolarHBondContact O-CD 3.41Å; P608-K628 WeakPolarHBondContact CA-O 3.4Å
609	G	77.5	Confident	82.3	Confident	1 Å²	1	41 Å²	41	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.1	-176.1	0	0	0	0	0	112.8	S589 E612 K628 V629 S630	S589-G609 WeakPolarHBondContact O-CA 3.23Å; G609-E612 WeakPolarHBondContact CA-OE1 3.48Å; G609-K628 PolarHBondContact N-O 2.77Å; G609-V629 WeakPolarHBondContact O-CA 3.29Å; G609-S630 PolarHBondContact O-N 3.43Å
610	H	76.5	Confident	82.1	Confident	96 Å²	96	43.4 Å²	43.4	44%	0.444	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126	175.2	-64.1	-84.4	0	0	0	110.6	S589 V590 L591 S630	S589-H610 PolarHBondContact O-N 3.4Å; V590-H610 WeakPolarHBondContact CA-O 3.38Å; V590-H610 HydrophobicContact CG2-CB 4.41Å; L591-H610 PolarHBondContact N-O 3.02Å; H610-S630 WeakPolarHBondContact CA-O 3.32Å; H610-S630 PolarHBondContact CE1-OG 2.93Å; H610-S630 PolarHBondContact ND1-OG 3.2Å
611	L	76	Confident	81.6	Confident	79 Å²	79	44.4 Å²	44.4	41%	0.414	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	58.3	59.3	179.9	-63.3	165.1	0	0	0	112.9	L591 S630 R631	L591-L611 WeakPolarHBondContact CA-O 3.46Å; L591-L611 HydrophobicContact CD2-CB 3.61Å; L591-L611 HydrophobicContact CD2-CD1 3.82Å; L591-L611 HydrophobicContact CD2-CG 4.32Å; L591-L611 HydrophobicContact CG-CB 4.17Å; L591-L611 HydrophobicContact CG-CD1 4.25Å; L611-S630 PolarHBondContact N-O 3.47Å; L611-S630 VanDerWaalsContact N-O 3.08Å; L611-R631 VanDerWaalsContact CA-O 3.28Å; L611-R631 WeakPolarHBondContact CA-O 3.5Å; L611-R631 HydrophobicContact CD2-CB 3.65Å; L611-R631 HydrophobicContact CD2-CG 4.26Å; L611-R631 HydrophobicContact CG-CB 4.29Å
612	E	75.9	Confident	81.3	Confident	17 Å²	17	41 Å²	41	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.8	177.4	-57.7	170.4	178.3	0	0	110.8	S589 G609 R631 F632 A633	S589-E612 WeakPolarHBondContact CB-OE1 3.36Å; S589-E612 PolarHBondContact OG-OE1 3.5Å; G609-E612 WeakPolarHBondContact CA-OE1 3.48Å; E612-R631 PolarHBondContact N-O 3.44Å; E612-F632 HydrophobicContact CB-CD2 3.72Å; E612-F632 HydrophobicContact CB-CE2 3.79Å; E612-F632 WeakPolarHBondContact O-CA 3.28Å; E612-F632 WeakPolarHBondContact O-CD2 3.46Å; E612-A633 PolarHBondContact O-N 3.38Å
613	A	80	Confident	80.7	Confident	24 Å²	24	42.1 Å²	42.1	20%	0.198	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.5	176.9	0	0	0	0	0	111.4	P593 F594 V615 A633	P593-A613 CarbonylContact C-O 3.46Å; P593-A613 WeakPolarHBondContact CA-O 3.19Å; P593-A613 HydrophobicContact CB-CB 4.4Å; F594-A613 PolarHBondContact N-O 3.5Å; A613-V615 HydrophobicContact CB-CG2 4.4Å; A613-A633 CarbonylContact C-O 3.6Å; A613-A633 WeakPolarHBondContact CA-O 3.22Å; A613-A633 HydrophobicContact CB-CB 4.24Å
614	L	83.2	Confident	80.3	Confident	9 Å²	9	41.9 Å²	41.9	5%	0.047	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	103.4	171.9	-82.1	159.2	0	0	0	108.7	F594 L599 S617 F632 A633 I634 V635 S637	F594-L614 HydrophobicContact CB-CD2 3.71Å; F594-L614 HydrophobicContact CB-CG 4.41Å; F594-L614 HydrophobicContact CD2-CD2 4.44Å; F594-L614 HydrophobicContact CG-CD2 4.21Å; F594-L614 WeakPolarHBondContact O-CA 3.48Å; L599-L614 HydrophobicContact CD1-CD2 4.15Å; L614-S617 WeakPolarHBondContact CB-OG 3.06Å; L614-S617 WeakPolarHBondContact CD2-OG 3.43Å; L614-F632 HydrophobicContact CD1-CE1 4.04Å; L614-F632 HydrophobicContact CD1-CE2 4.31Å; L614-F632 HydrophobicContact CD1-CZ 3.4Å; L614-F632 HydrophobicContact CG-CZ 4.15Å; L614-A633 PolarHBondContact N-O 2.79Å; L614-I634 HydrophobicContact CD1-CG1 4.5Å; L614-V635 PolarHBondContact O-N 3.2Å; L614-S637 PolarHBondContact O-OG 2.92Å; L614-S637 VanDerWaalsContact O-OG 3.13Å
615	V	84.4	Confident	79.7	Confident	41 Å²	41	42.4 Å²	42.4	25%	0.248	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.1	-177.7	-173.2	0	0	0	0	109.8	F594 I595 L596 A613 S617 V635	F594-V615 PolarHBondContact O-N 2.97Å; I595-V615 WeakPolarHBondContact CA-O 3.48Å; L596-V615 PolarHBondContact N-O 3.34Å; A613-V615 HydrophobicContact CB-CG2 4.4Å; V615-S617 PolarHBondContact O-N 2.9Å; V615-V635 WeakPolarHBondContact CA-O 3.32Å; V615-V635 HydrophobicContact CG1-CB 4.48Å; V615-V635 HydrophobicContact CG1-CG1 4.45Å; V615-V635 HydrophobicContact CG2-CB 4.33Å
616	L	84.7	Confident	79	Confident	77 Å²	77	44 Å²	44	40%	0.403	23%	0.23	S	C	.	.	S	Bend	trans	55.9	32.3	177	-63.3	164.9	0	0	0	114.1	L596 P618 V635 M636	L596-L616 HydrophobicContact CD2-CB 3.63Å; L596-L616 HydrophobicContact CD2-CD1 4.02Å; L596-L616 HydrophobicContact CD2-CG 4.46Å; L596-L616 HydrophobicContact CG-CB 4.36Å; L616-P618 WeakPolarHBondContact O-CD 3.48Å; L616-V635 PolarHBondContact N-O 2.95Å; L616-M636 WeakPolarHBondContact CA-O 3.28Å; L616-M636 HydrophobicContact CD1-CE 4.44Å; L616-M636 HydrophobicContact CD2-CB 3.58Å; L616-M636 HydrophobicContact CD2-CE 3.94Å; L616-M636 HydrophobicContact CD2-CG 4.45Å; L616-M636 HydrophobicContact CD2-SD 4.11Å; L616-M636 HydrophobicContact CG-CB 4.26Å; L616-M636 HydrophobicContact CG-CE 4.15Å
617	S	85.4	Confident	78.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.			trans	-111.3	98	-177.3	41.4	0	0	0	0	111.1	S597 L614 V615 S637	S597-S617 WeakPolarHBondContact O-CB 3.33Å; L614-S617 WeakPolarHBondContact CB-OG 3.06Å; L614-S617 WeakPolarHBondContact CD2-OG 3.43Å; V615-S617 PolarHBondContact O-N 2.9Å; S617-S637 WeakPolarHBondContact O-CB 3.35Å
618	P	86	Confident	77.8	Confident	54 Å²	54	45.2 Å²	45.2	35%	0.351	24%	0.239	S	C	.	.			trans	-68.3	143.8	177.8	29.2	-34.6	0	0	0	110.9	P598 L599 L616 P638	P598-P618 WeakPolarHBondContact CA-O 3.38Å; P598-P618 HydrophobicContact CB-CG 3.79Å; L599-P618 PolarHBondContact N-O 3.31Å; L616-P618 WeakPolarHBondContact O-CD 3.48Å; P618-P638 CarbonylContact C-O 3.58Å; P618-P638 WeakPolarHBondContact CA-O 3.39Å; P618-P638 HydrophobicContact CB-CG 3.97Å
619	R	87.3	Confident	77.2	Confident	11 Å²	11	44.2 Å²	44.2	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.8	-172.6	-64.5	-176.6	-69.1	156.9	7.4	111	E291 L599 S622 P638 A639 L640	E291-R619 IonicContact OE1-NH2 3.61Å; E291-R619 PolarHBondContact OE1-NH2 3.35Å; E291-R619 VanDerWaalsContact OE1-NH2 3.09Å; L599-R619 HydrophobicContact CB-CG 4.25Å; L599-R619 HydrophobicContact CD1-CG 4.13Å; L599-R619 HydrophobicContact CG-CG 4.48Å; L599-R619 CarbonylContact O-C 3.47Å; L599-R619 WeakPolarHBondContact O-CA 3.5Å; R619-S622 WeakPolarHBondContact CB-OG 3.38Å; R619-P638 PolarHBondContact N-O 2.78Å; R619-A639 HydrophobicContact CB-CB 4.06Å; R619-A639 CarbonylContact O-C 3.59Å; R619-A639 VanDerWaalsContact O-CA 3.29Å; R619-A639 WeakPolarHBondContact O-CA 3.47Å; R619-L640 PolarHBondContact O-N 3.23Å
620	V	82.9	Confident	76.7	Confident	53 Å²	53	45.9 Å²	45.9	32%	0.321	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.2	175.6	-176	0	0	0	0	109.1	L599 V600 L601 S622 L640	L599-V620 PolarHBondContact O-N 2.92Å; V600-V620 WeakPolarHBondContact CA-O 3.47Å; V600-V620 HydrophobicContact CG2-CB 4.5Å; L601-V620 PolarHBondContact N-O 3.08Å; V620-S622 PolarHBondContact O-N 2.84Å; V620-S622 VanDerWaalsContact O-N 3.16Å; V620-L640 HydrophobicContact CG2-CB 4.39Å
621	L	76.1	Confident	76.2	Confident	74 Å²	74	50 Å²	50	39%	0.387	26%	0.255	S	S	.	.	S	Bend	trans	52.3	37.2	176.9	-66.3	167.3	0	0	0	114.1	L601 P623 L640 L641	L601-L621 HydrophobicContact CD2-CB 3.61Å; L601-L621 HydrophobicContact CD2-CD1 3.73Å; L601-L621 HydrophobicContact CD2-CG 4.32Å; L601-L621 HydrophobicContact CG-CB 4.37Å; L621-P623 VanDerWaalsContact C-CD 3.41Å; L621-P623 WeakPolarHBondContact O-CD 3.46Å; L621-L640 PolarHBondContact N-O 3.17Å; L621-L641 HydrophobicContact CD2-CB 3.51Å; L621-L641 HydrophobicContact CD2-CD1 3.95Å; L621-L641 HydrophobicContact CD2-CG 4.36Å; L621-L641 HydrophobicContact CG-CB 4.22Å
622	S	75.8	Confident	76.2	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.014	24%	0.24	C	C	.	.			trans	-105.2	82.3	175.1	46.5	0	0	0	0	110.6	S602 R619 V620 S642	S602-S622 WeakPolarHBondContact O-CB 3.41Å; R619-S622 WeakPolarHBondContact CB-OG 3.38Å; V620-S622 PolarHBondContact O-N 2.84Å; V620-S622 VanDerWaalsContact O-N 3.16Å; S622-S642 PolarHBondContact O-OG 2.79Å
623	P	71.9	Confident	76.3	Confident	26 Å²	26	47.8 Å²	47.8	17%	0.169	25%	0.248	C	C	.	.			trans	-76.3	145.5	-176.6	33.1	-39	0	0	0	112.5	P603 F604 L621 V625 R643	P603-P623 WeakPolarHBondContact CA-O 3.46Å; P603-P623 HydrophobicContact CB-CG 3.68Å; F604-P623 PolarHBondContact N-O 3.02Å; L621-P623 VanDerWaalsContact C-CD 3.41Å; L621-P623 WeakPolarHBondContact O-CD 3.46Å; P623-V625 HydrophobicContact CB-CG2 4.28Å; P623-V625 HydrophobicContact CG-CG2 4.47Å; P623-R643 CarbonylContact C-O 3.15Å; P623-R643 WeakPolarHBondContact CA-O 3.48Å; P623-R643 HydrophobicContact CB-CB 3.65Å; P623-R643 WeakPolarHBondContact CB-O 3.05Å
624	L	74.7	Confident	76.3	Confident	25 Å²	25	47.1 Å²	47.1	13%	0.131	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	99	172	-80.8	83.8	0	0	0	109.1	F604 T627 V629 R643 K644 K645	F604-L624 HydrophobicContact CB-CG 4.39Å; L624-T627 WeakPolarHBondContact CB-OG1 3.31Å; L624-V629 HydrophobicContact CD2-CG2 4.36Å; L624-R643 PolarHBondContact N-O 2.89Å; L624-K644 HydrophobicContact CB-CG 4.08Å; L624-K644 VanDerWaalsContact O-CA 3.29Å; L624-K644 WeakPolarHBondContact O-CA 3.03Å; L624-K644 WeakPolarHBondContact O-CG 3.45Å; L624-K645 PolarHBondContact O-N 3.17Å
625	V	70.4	Confident	76.3	Confident	39 Å²	39	48.2 Å²	48.2	24%	0.236	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.8	-176.1	-176.6	0	0	0	0	110.2	F604 I605 R606 P623 T627 K645	F604-V625 PolarHBondContact O-N 3.44Å; I605-V625 WeakPolarHBondContact CA-O 3.09Å; I605-V625 HydrophobicContact CG1-CB 4.36Å; R606-V625 PolarHBondContact N-O 2.88Å; P623-V625 HydrophobicContact CB-CG2 4.28Å; P623-V625 HydrophobicContact CG-CG2 4.47Å; V625-T627 PolarHBondContact O-N 2.77Å; V625-T627 VanDerWaalsContact O-N 3.13Å; V625-K645 HydrophobicContact CG1-CB 4.49Å
626	K	68.3	Low	76	Confident	96 Å²	96	50.1 Å²	50.1	42%	0.417	26%	0.255	S	S	.	.	S	Bend	trans	54.1	28	179	-60.4	-172.4	168.3	-151.1	0	114.8	K645 E647	K626-K645 PolarHBondContact N-O 2.95Å; K626-E647 HydrophobicContact CD-CG 3.97Å; K626-E647 WeakPolarHBondContact CD-OE1 3.48Å; K626-E647 WeakPolarHBondContact CE-OE1 3.19Å; K626-E647 HydrophobicContact CG-CG 4.14Å; K626-E647 IonicContact NZ-OE1 3.61Å; K626-E647 PolarHBondContact NZ-OE1 2.67Å
627	T	67.2	Low	76	Confident	11 Å²	11	46.4 Å²	46.4	7%	0.067	24%	0.235	C	C	.	.			trans	-89.5	129.5	175.9	55.4	0	0	0	0	110	F604 S607 L624 V625	F604-T627 HydrophobicContact CB-CG2 3.95Å; F604-T627 WeakPolarHBondContact O-CG2 3.3Å; S607-T627 VanDerWaalsContact O-CB 3.31Å; S607-T627 WeakPolarHBondContact O-CB 3.45Å; S607-T627 WeakPolarHBondContact O-CG2 3.49Å; S607-T627 VanDerWaalsContact OG-CG2 3.32Å; S607-T627 WeakPolarHBondContact OG-CG2 3.33Å; L624-T627 WeakPolarHBondContact CB-OG1 3.31Å; V625-T627 PolarHBondContact O-N 2.77Å; V625-T627 VanDerWaalsContact O-N 3.13Å
628	K	70.3	Confident	75.9	Confident	165 Å²	165	48.8 Å²	48.8	72%	0.717	25%	0.251	S	S	*	.			trans	-97.3	118.6	171.3	-68.5	-178	-177.3	176.3	0	107.1	P608 G609	P608-K628 WeakPolarHBondContact CA-O 3.4Å; G609-K628 PolarHBondContact N-O 2.77Å
629	V	67.6	Low	75.8	Confident	28 Å²	28	46.3 Å²	46.3	17%	0.17	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.2	178.5	-158.6	0	0	0	0	108.4	G609 L624 F632	G609-V629 WeakPolarHBondContact O-CA 3.29Å; L624-V629 HydrophobicContact CD2-CG2 4.36Å; V629-F632 HydrophobicContact CB-CB 4.36Å; V629-F632 HydrophobicContact CG1-CB 3.65Å; V629-F632 HydrophobicContact CG1-CD2 3.47Å; V629-F632 VanDerWaalsContact CG1-CD2 3.47Å; V629-F632 HydrophobicContact CG1-CE2 4.17Å; V629-F632 HydrophobicContact CG1-CG 3.72Å
630	S	66.1	Low	75.4	Confident	37 Å²	37	49 Å²	49	26%	0.259	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.8	176.2	71.3	0	0	0	0	110.6	G609 H610 L611	G609-S630 PolarHBondContact O-N 3.43Å; H610-S630 WeakPolarHBondContact CA-O 3.32Å; H610-S630 PolarHBondContact CE1-OG 2.93Å; H610-S630 PolarHBondContact ND1-OG 3.2Å; L611-S630 PolarHBondContact N-O 3.47Å; L611-S630 VanDerWaalsContact N-O 3.08Å
631	R	66.9	Low	74.6	Confident	181 Å²	181	49.2 Å²	49.2	68%	0.683	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	52.1	62.6	-169	-60.2	-176.9	175.9	172.9	-2.8	112	S283 L611 E612	S283-R631 CarbonylContact O-C 3.53Å; S283-R631 WeakPolarHBondContact O-CA 3.34Å; S283-R631 PolarHBondContact O-N 3.19Å; L611-R631 VanDerWaalsContact CA-O 3.28Å; L611-R631 WeakPolarHBondContact CA-O 3.5Å; L611-R631 HydrophobicContact CD2-CB 3.65Å; L611-R631 HydrophobicContact CD2-CG 4.26Å; L611-R631 HydrophobicContact CG-CB 4.29Å; E612-R631 PolarHBondContact N-O 3.44Å
632	F	75	Confident	73.8	Confident	21 Å²	21	46.4 Å²	46.4	9%	0.092	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.7	-179.3	-167.6	-119.6	0	0	0	112	S283 A284 F285 E612 L614 V629 I634	S283-F632 PolarHBondContact O-N 3.48Å; A284-F632 CarbonylContact C-O 3.48Å; A284-F632 WeakPolarHBondContact CA-O 3.23Å; A284-F632 HydrophobicContact CB-CB 3.83Å; F285-F632 PolarHBondContact N-O 2.88Å; E612-F632 HydrophobicContact CB-CD2 3.72Å; E612-F632 HydrophobicContact CB-CE2 3.79Å; E612-F632 WeakPolarHBondContact O-CA 3.28Å; E612-F632 WeakPolarHBondContact O-CD2 3.46Å; L614-F632 HydrophobicContact CD1-CE1 4.04Å; L614-F632 HydrophobicContact CD1-CE2 4.31Å; L614-F632 HydrophobicContact CD1-CZ 3.4Å; L614-F632 HydrophobicContact CG-CZ 4.15Å; V629-F632 HydrophobicContact CB-CB 4.36Å; V629-F632 HydrophobicContact CG1-CB 3.65Å; V629-F632 HydrophobicContact CG1-CD2 3.47Å; V629-F632 VanDerWaalsContact CG1-CD2 3.47Å; V629-F632 HydrophobicContact CG1-CE2 4.17Å; V629-F632 HydrophobicContact CG1-CG 3.72Å; F632-I634 HydrophobicContact CD1-CD1 4.08Å; F632-I634 HydrophobicContact CD1-CG1 3.64Å; F632-I634 HydrophobicContact CE1-CD1 3.58Å; F632-I634 HydrophobicContact CE1-CG1 3.24Å; F632-I634 HydrophobicContact CZ-CG1 4.19Å
633	A	78.2	Confident	72.9	Confident	30 Å²	30	52.2 Å²	52.2	25%	0.248	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.9	174	0	0	0	0	0	111.7	F285 E612 A613 L614	F285-A633 CarbonylContact O-C 3.57Å; F285-A633 WeakPolarHBondContact O-CA 3.38Å; E612-A633 PolarHBondContact O-N 3.38Å; A613-A633 CarbonylContact C-O 3.6Å; A613-A633 WeakPolarHBondContact CA-O 3.22Å; A613-A633 HydrophobicContact CB-CB 4.24Å; L614-A633 PolarHBondContact N-O 2.79Å
634	I	80.2	Confident	72.1	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.046	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.2	171.9	-56.9	178.2	0	0	0	106.9	F285 R286 F287 L614 F632 S637	F285-I634 PolarHBondContact O-N 2.75Å; R286-I634 CarbonylContact C-O 3.57Å; R286-I634 WeakPolarHBondContact CA-O 3.45Å; R286-I634 HydrophobicContact CB-CB 4.32Å; R286-I634 HydrophobicContact CG-CB 4.06Å; R286-I634 HydrophobicContact CG-CD1 4.43Å; R286-I634 HydrophobicContact CG-CG2 4.16Å; F287-I634 PolarHBondContact N-O 3.11Å; L614-I634 HydrophobicContact CD1-CG1 4.5Å; F632-I634 HydrophobicContact CD1-CD1 4.08Å; F632-I634 HydrophobicContact CD1-CG1 3.64Å; F632-I634 HydrophobicContact CE1-CD1 3.58Å; F632-I634 HydrophobicContact CE1-CG1 3.24Å; F632-I634 HydrophobicContact CZ-CG1 4.19Å; I634-S637 WeakPolarHBondContact CG2-OG 3.2Å
635	V	81.9	Confident	70.6	Confident	32 Å²	32	58 Å²	58	19%	0.194	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.4	-175.6	177.4	0	0	0	0	109.9	F287 L614 V615 L616 S637	F287-V635 HydrophobicContact CB-CG2 4.44Å; F287-V635 HydrophobicContact CD1-CG1 4.18Å; F287-V635 CarbonylContact O-C 3.48Å; F287-V635 WeakPolarHBondContact O-CA 3.45Å; L614-V635 PolarHBondContact O-N 3.2Å; V615-V635 WeakPolarHBondContact CA-O 3.32Å; V615-V635 HydrophobicContact CG1-CB 4.48Å; V615-V635 HydrophobicContact CG1-CG1 4.45Å; V615-V635 HydrophobicContact CG2-CB 4.33Å; L616-V635 PolarHBondContact N-O 2.95Å; V635-S637 PolarHBondContact N-OG 3.25Å; V635-S637 PolarHBondContact O-N 3.3Å; V635-S637 VanDerWaalsContact O-N 3.13Å; V635-S637 PolarHBondContact O-OG 3.47Å
636	M	80.2	Confident	69.1	Low	81 Å²	81	64.2 Å²	64.2	40%	0.399	30%	0.298	S	S	.	.	S	Bend	trans	53.1	33.6	175.6	-61.2	-175.9	-74.2	0	0	114.5	F287 L288 L616 P638	F287-M636 PolarHBondContact O-N 2.77Å; L288-M636 HydrophobicContact CB-CG 3.81Å; L288-M636 HydrophobicContact CD1-CG 4.31Å; L288-M636 WeakPolarHBondContact O-CA 3.2Å; L616-M636 WeakPolarHBondContact CA-O 3.28Å; L616-M636 HydrophobicContact CD1-CE 4.44Å; L616-M636 HydrophobicContact CD2-CB 3.58Å; L616-M636 HydrophobicContact CD2-CE 3.94Å; L616-M636 HydrophobicContact CD2-CG 4.45Å; L616-M636 HydrophobicContact CD2-SD 4.11Å; L616-M636 HydrophobicContact CG-CB 4.26Å; L616-M636 HydrophobicContact CG-CE 4.15Å; M636-P638 WeakPolarHBondContact O-CD 3.49Å
637	S	83	Confident	67.5	Low	0 Å²	0	64 Å²	64	0%	0	30%	0.298	C	S	.	.			trans	-117.4	89.7	-174.5	29.8	0	0	0	0	111.2	S289 L614 S617 I634 V635	S289-S637 WeakPolarHBondContact CB-O 3.37Å; L614-S637 PolarHBondContact O-OG 2.92Å; L614-S637 VanDerWaalsContact O-OG 3.13Å; S617-S637 WeakPolarHBondContact O-CB 3.35Å; I634-S637 WeakPolarHBondContact CG2-OG 3.2Å; V635-S637 PolarHBondContact N-OG 3.25Å; V635-S637 PolarHBondContact O-N 3.3Å; V635-S637 VanDerWaalsContact O-N 3.13Å; V635-S637 PolarHBondContact O-OG 3.47Å
638	P	84.4	Confident	65.7	Low	49 Å²	49	68.3 Å²	68.3	32%	0.318	33%	0.329	S	S	.	.			trans	-66.3	148.1	-176.9	28.2	-34.6	0	0	0	111.5	P290 P618 R619 M636	P290-P638 HydrophobicContact CG-CB 4.11Å; P290-P638 CarbonylContact O-C 3.54Å; P290-P638 WeakPolarHBondContact O-CA 3.43Å; P618-P638 CarbonylContact C-O 3.58Å; P618-P638 WeakPolarHBondContact CA-O 3.39Å; P618-P638 HydrophobicContact CB-CG 3.97Å; R619-P638 PolarHBondContact N-O 2.78Å; M636-P638 WeakPolarHBondContact O-CD 3.49Å
639	A	82.8	Confident	63.8	Low	3 Å²	3	69.6 Å²	69.6	3%	0.025	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148	179	0	0	0	0	0	113.1	P290 E291 F292 R619	P290-A639 PolarHBondContact O-N 3.17Å; E291-A639 CarbonylContact C-O 3.59Å; E291-A639 WeakPolarHBondContact CA-O 3.2Å; E291-A639 HydrophobicContact CB-CB 4.45Å; E291-A639 HydrophobicContact CG-CB 3.9Å; F292-A639 PolarHBondContact N-O 3.47Å; R619-A639 HydrophobicContact CB-CB 4.06Å; R619-A639 CarbonylContact O-C 3.59Å; R619-A639 VanDerWaalsContact O-CA 3.29Å; R619-A639 WeakPolarHBondContact O-CA 3.47Å
640	L	78.9	Confident	62	Low	68 Å²	68	72.2 Å²	72.2	36%	0.356	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.8	178.3	-153.6	150.9	0	0	0	109.4	F292 F293 R619 V620 L621 S642	F292-L640 HydrophobicContact CB-CG 4.17Å; F293-L640 HydrophobicContact CD2-CD2 4.47Å; R619-L640 PolarHBondContact O-N 3.23Å; V620-L640 HydrophobicContact CG2-CB 4.39Å; L621-L640 PolarHBondContact N-O 3.17Å; L640-S642 PolarHBondContact O-N 3.39Å
641	L	67.8	Low	60.4	Low	56 Å²	56	78.6 Å²	78.6	29%	0.293	38%	0.377	S	S	.	.	S	Bend	trans	55.3	46.8	-179.1	-68.5	163.8	0	0	0	114.4	F292 F293 L313 L621	F292-L641 PolarHBondContact O-N 3.09Å; F293-L641 HydrophobicContact CB-CD2 3.53Å; F293-L641 HydrophobicContact CB-CG 3.98Å; F293-L641 HydrophobicContact CG-CD2 4.36Å; L313-L641 HydrophobicContact CD1-CD2 4.24Å; L621-L641 HydrophobicContact CD2-CB 3.51Å; L621-L641 HydrophobicContact CD2-CD1 3.95Å; L621-L641 HydrophobicContact CD2-CG 4.36Å; L621-L641 HydrophobicContact CG-CB 4.22Å
642	S	58.5	Low	58.9	Low	16 Å²	16	75.4 Å²	75.4	11%	0.112	37%	0.372	C	S	.	.			trans	-81	128.2	175.8	-162.9	0	0	0	0	111.6	S622 L640	S622-S642 PolarHBondContact O-OG 2.79Å; L640-S642 PolarHBondContact O-N 3.39Å
643	R	57.4	Low	57.2	Low	123 Å²	123	81.2 Å²	81.2	46%	0.464	40%	0.4	S	S	.	.			trans	-107.3	120.9	177.8	-159.3	-176.4	178.5	173.4	5.1	109.5	I295 Y296 P623 L624	I295-R643 HydrophobicContact CD1-CB 4.15Å; I295-R643 HydrophobicContact CD1-CG 4.18Å; Y296-R643 HydrophobicContact CD2-CG 3.86Å; Y296-R643 HydrophobicContact CE2-CG 3.56Å; P623-R643 CarbonylContact C-O 3.15Å; P623-R643 WeakPolarHBondContact CA-O 3.48Å; P623-R643 HydrophobicContact CB-CB 3.65Å; P623-R643 WeakPolarHBondContact CB-O 3.05Å; L624-R643 PolarHBondContact N-O 2.89Å
644	K	55.4	Low	55.3	Low	56 Å²	56	84.4 Å²	84.4	24%	0.243	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	107.5	166.9	-162	178.4	-172.4	-178	0	110.2	L624	L624-K644 HydrophobicContact CB-CG 4.08Å; L624-K644 VanDerWaalsContact O-CA 3.29Å; L624-K644 WeakPolarHBondContact O-CA 3.03Å; L624-K644 WeakPolarHBondContact O-CG 3.45Å
645	K	41.3	Very low	53.1	Low	116 Å²	116	89.1 Å²	89.1	50%	0.504	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.7	175.7	-172.2	175.6	-179.2	178.2	0	109.7	L624 V625 K626	L624-K645 PolarHBondContact O-N 3.17Å; V625-K645 HydrophobicContact CG1-CB 4.49Å; K626-K645 PolarHBondContact N-O 2.95Å
646	R	40.3	Very low	50.9	Low	170 Å²	170	94 Å²	94	64%	0.642	46%	0.461	S	S	*	.			trans	-72.5	139.3	171.3	-151.4	174.6	-172.1	174.9	1.1	109.4	S648	R646-S648 PolarHBondContact O-N 3.4Å; R646-S648 VanDerWaalsContact O-N 3.08Å
647	E	34.1	Very low	49	Very low	92 Å²	92	99 Å²	99	43%	0.43	48%	0.48	S	S	.	.			trans	-61.8	107.5	156.2	-97.5	172.7	173	0	0	107.4	K626 K649	K626-E647 HydrophobicContact CD-CG 3.97Å; K626-E647 WeakPolarHBondContact CD-OE1 3.48Å; K626-E647 WeakPolarHBondContact CE-OE1 3.19Å; K626-E647 HydrophobicContact CG-CG 4.14Å; K626-E647 IonicContact NZ-OE1 3.61Å; K626-E647 PolarHBondContact NZ-OE1 2.67Å; E647-K649 PolarHBondContact O-N 2.95Å
648	S	29.6	Very low	46.9	Very low	101 Å²	101	101.9 Å²	101.9	71%	0.706	50%	0.5	S	S	*	.			trans	-61	112	151.4	51.7	0	0	0	0	105.3	R646 S650	R646-S648 PolarHBondContact O-N 3.4Å; R646-S648 VanDerWaalsContact O-N 3.08Å; S648-S650 PolarHBondContact O-N 2.96Å
649	K	29.9	Very low	44.7	Very low	193 Å²	193	105.5 Å²	105.5	84%	0.839	52%	0.517	S	S	*	.			trans	-54	99.8	160.5	-79.2	-177.9	173	-176.5	0	106	E647 F651	E647-K649 PolarHBondContact O-N 2.95Å; K649-F651 PolarHBondContact O-N 3.48Å
650	S	29.3	Very low	42.5	Very low	82 Å²	82	109.1 Å²	109.1	57%	0.573	55%	0.547	S	S	*	.			trans	-62.7	132.9	166.6	43.7	0	0	0	0	106.4	S648 I652	S648-S650 PolarHBondContact O-N 2.96Å; S650-I652 PolarHBondContact O-N 3.24Å
651	F	32.6	Very low	40.4	Very low	171 Å²	171	110.7 Å²	110.7	75%	0.75	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	18.5	-174.4	-153.6	-103.5	0	0	0	115.6	K649	K649-F651 PolarHBondContact O-N 3.48Å
652	I	36.8	Very low	38.7	Very low	114 Å²	114	117.7 Å²	117.7	59%	0.585	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-36.4	-172.9	-60.5	178.8	0	0	0	111.2	S650 T654 M655 E656	S650-I652 PolarHBondContact O-N 3.24Å; I652-T654 VanDerWaalsContact C-N 3.28Å; I652-T654 PolarHBondContact O-N 3.36Å; I652-M655 PolarHBondContact O-N 2.85Å; I652-E656 PolarHBondContact O-N 2.77Å
653	E	38	Very low	37.5	Very low	143 Å²	143	124.6 Å²	124.6	67%	0.668	62%	0.618	S	S	*	*	H	α-helix	trans	-73.5	-13	178.8	-83.5	-178	165	0	0	114.8
654	T	38.3	Very low	36.2	Very low	98 Å²	98	125.1 Å²	125.1	60%	0.601	63%	0.63	S	S	*	*	H	α-helix	trans	-91.2	-15.2	173.5	42.5	0	0	0	0	113.4	I652 S658	I652-T654 VanDerWaalsContact C-N 3.28Å; I652-T654 PolarHBondContact O-N 3.36Å; T654-S658 PolarHBondContact O-OG 3.33Å
655	M	34	Very low	35	Very low	108 Å²	108	126.8 Å²	126.8	53%	0.532	65%	0.649	S	S	.	*	H	α-helix	trans	-91.7	-29.8	172.3	-80.5	-89.6	152.9	0	0	111.9	I652 K657 S658 N659	I652-M655 PolarHBondContact O-N 2.85Å; M655-K657 PolarHBondContact O-N 3.06Å; M655-S658 PolarHBondContact O-N 3.36Å; M655-S658 PolarHBondContact O-OG 3.4Å; M655-N659 PolarHBondContact O-N 3.23Å
656	E	36.7	Very low	34.8	Very low	135 Å²	135	129 Å²	129	63%	0.631	66%	0.661	S	S	*	*	H	α-helix	trans	-71.9	-27	177	-117	172.1	170.8	0	0	113.7	I652	I652-E656 PolarHBondContact O-N 2.77Å
657	K	39.5	Very low	34.5	Very low	184 Å²	184	126.4 Å²	126.4	80%	0.8	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-10.8	175.2	-76.4	-177	175.5	-178.5	0	114.6	M655	M655-K657 PolarHBondContact O-N 3.06Å
658	S	38.8	Very low	34.4	Very low	62 Å²	62	131.6 Å²	131.6	43%	0.434	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.3	-15.7	176.9	42.8	0	0	0	0	113.3	T654 M655	T654-S658 PolarHBondContact O-OG 3.33Å; M655-S658 PolarHBondContact O-N 3.36Å; M655-S658 PolarHBondContact O-OG 3.4Å
659	N	38.6	Very low	34.7	Very low	124 Å²	124	136 Å²	136	66%	0.663	69%	0.692	S	S	*	*	S	Bend	trans	-104.8	0.1	178.4	-72.2	-13	0	0	0	114.7	M655	M655-N659 PolarHBondContact O-N 3.23Å
660	A	36.7	Very low	35.1	Very low	80 Å²	80	131 Å²	131	66%	0.661	68%	0.679	S	S	*	*	S	Bend	trans	-91.8	13.3	179.9	0	0	0	0	0	114.3
661	T	34.4	Very low	35.5	Very low	100 Å²	100	134.8 Å²	134.8	61%	0.613	69%	0.688	S	S	*	*	S	Bend	trans	-121.3	39.7	-179.1	55.4	0	0	0	0	112.5
662	Y	33.6	Very low	35.6	Very low	203 Å²	203	133 Å²	133	80%	0.796	69%	0.685	S	S	*	*	S	Bend	trans	-156.9	127.9	165.8	-79.2	-79.1	0	0	0	106.5
663	L	31.7	Very low	35.6	Very low	162 Å²	162	132.9 Å²	132.9	85%	0.848	69%	0.69	S	S	*	*			trans	86	112.2	-165.6	-55.3	144.1	0	0	0	111.3
664	D	30.8	Very low	35.6	Very low	133 Å²	133	135 Å²	135	71%	0.711	70%	0.7	S	S	*	*			cis	-153.7	124.9	25.7	-82.3	-33.1	0	0	0	107.9
665	S	30.3	Very low	35.4	Very low	92 Å²	92	139 Å²	139	64%	0.643	71%	0.712	S	S	*	*				53.3	123.4	102.8	82.2	0	0	0	0	117
666	H	36.1	Very low	35.5	Very low	161 Å²	161	147.2 Å²	147.2	75%	0.745	75%	0.745	S	S	*	*			trans	101.1	99.8	156.3	-63.6	-67.7	0	0	0	119
667	T	35	Very low	35.5	Very low	117 Å²	117	147.9 Å²	147.9	72%	0.718	75%	0.75	S	S	*	*				109.2	128.9	125.8	62.3	0	0	0	0	118.9
668	F	32.6	Very low	35.3	Very low	201 Å²	201	145.9 Å²	145.9	88%	0.882	75%	0.748	S	S	*	*			trans	82.7	70.2	165.3	-70.8	-79.8	0	0	0	120.4
669	K	34.5	Very low	35.1	Very low	193 Å²	193	150.6 Å²	150.6	84%	0.839	77%	0.765	S	S	*	*			trans	-37.3	171.4	134.6	-102.5	-172.4	177.7	-179	0	114.2
670	P	39.8	Very low	34.8	Very low	88 Å²	88	152.2 Å²	152.2	57%	0.571	77%	0.771	S	S	*	*				-145.5	-156.8	-53.6	39.2	-16.3	0	0	0	111.3
671	H	36.3	Very low	34.7	Very low	161 Å²	161	156.7 Å²	156.7	75%	0.745	78%	0.778	S	S	*	*			trans	95.2	130.2	171.5	-64.5	-66.1	0	0	0	114.1
672	L	35.5	Very low	34.8	Very low	133 Å²	133	160.5 Å²	160.5	70%	0.696	79%	0.789	S	S	*	*			cis	-163.2	126.5	13.4	-103.8	147.1	0	0	0	104.6
673	T	37.2	Very low	34.8	Very low	112 Å²	112	157.4 Å²	157.4	69%	0.687	79%	0.789	S	S	*	*				56.5	128.4	112.5	65.3	0	0	0	0	114.1
674	E	36.6	Very low	35.1	Very low	188 Å²	188	157.1 Å²	157.1	88%	0.879	78%	0.784	S	S	*	*				-162.3	156.1	53.8	-77.8	-178.3	149.8	0	0	112.1
675	H	35.1	Very low	35.4	Very low	183 Å²	183	159.1 Å²	159.1	85%	0.847	79%	0.79	S	S	*	*			trans	-65.4	137.4	174.9	-93.3	-93.5	0	0	0	113.9
676	F	36.3	Very low	35.9	Very low	280 Å²	280	165.2 Å²	165.2	100%	1.228	80%	0.803	S	S	*	*				-141.6	0	127.9	-104.5	-76.9	0	0	0	108.7

Retrieved 676 of 676 residues in 165.8 ms (Link to these results)

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