A0A087Y0U6_POEFO Loading...

Peroxisomal N(1)-acetyl-spermine/spermidine oxidase

AlphaFold DB , UniProt , Accession A0A087Y0U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 545 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	33.2	Very low	240 Å²	240	149.8 Å²	149.8	100%	1.182	86%	0.858	S	S	*	*				0	122.9	0	-79.4	174.6	-176.9	0	0	107.3
2	Q	31.6	Very low	33.3	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	86%	0.856	S	S	*	*			trans	43.9	118.2	160.1	-80.5	165.2	-25.5	0	0	121.6
3	S	32.9	Very low	33.3	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	84%	0.837	S	S	*	*			trans	-56	142.6	150	45	0	0	0	0	113
4	C	29.4	Very low	33.5	Very low	132 Å²	132	145.8 Å²	145.8	89%	0.892	83%	0.834	S	S	*	*			trans	-122	120.5	163	-85.9	0	0	0	0	109.7
5	E	33.3	Very low	33.7	Very low	191 Å²	191	146.1 Å²	146.1	89%	0.893	83%	0.831	S	S	*	*			trans	-80.3	162	171.7	-71.2	178.3	150.5	0	0	111.6
6	I	37.6	Very low	33.7	Very low	167 Å²	167	143.4 Å²	143.4	86%	0.856	82%	0.824	S	S	*	*			trans	-79.7	137.9	-178.2	-62.5	157.3	0	0	0	109.8
7	S	29.4	Very low	33.8	Very low	112 Å²	112	141.6 Å²	141.6	78%	0.783	82%	0.822	S	S	*	*			trans	-131.7	121.4	150.6	77.2	0	0	0	0	109.9
8	S	37.6	Very low	33.7	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	81%	0.812	S	S	*	*			trans	-76.1	118.6	169.5	50.5	0	0	0	0	109.7
9	D	31.5	Very low	33.8	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	82%	0.818	S	S	*	*			trans	-118.5	112.4	161.5	-124.8	-8	0	0	0	107.9
10	S	34	Very low	33.9	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	82%	0.819	S	S	*	*			trans	-73.5	127.6	174.2	47.3	0	0	0	0	109.3	D12	S10-D12 PolarHBondContact O-N 3.07Å
11	T	32.8	Very low	34.3	Very low	137 Å²	137	144.1 Å²	144.1	84%	0.84	82%	0.818	S	S	*	*			trans	-63.7	110.5	172.2	48.1	0	0	0	0	110.7	D13	T11-D13 PolarHBondContact O-N 2.87Å
12	D	34.3	Very low	35.5	Very low	157 Å²	157	139.5 Å²	139.5	84%	0.84	79%	0.793	S	S	*	*			trans	-69.6	112.1	159.5	-88.2	-30.2	0	0	0	108.7	S10 P14	S10-D12 PolarHBondContact O-N 3.07Å; D12-P14 WeakPolarHBondContact O-CD 3.41Å
13	D	34.2	Very low	37.9	Very low	113 Å²	113	137.3 Å²	137.3	60%	0.604	78%	0.777	S	S	*	*			trans	-85.6	112.6	168.3	-173	0.9	0	0	0	108.6	T11 L15	T11-D13 PolarHBondContact O-N 2.87Å; D13-L15 PolarHBondContact O-N 2.73Å
14	P	36.4	Very low	40.5	Very low	123 Å²	123	135.8 Å²	135.8	80%	0.799	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	15.5	-172.2	31.6	-33.5	0	0	0	114.1	D12	D12-P14 WeakPolarHBondContact O-CD 3.41Å
15	L	35.4	Very low	43.5	Very low	151 Å²	151	129.8 Å²	129.8	79%	0.791	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	12.4	-177.1	-77.3	165	0	0	0	115.5	D13	D13-L15 PolarHBondContact O-N 2.73Å
16	S	34.3	Very low	46.5	Very low	102 Å²	102	123.8 Å²	123.8	71%	0.713	69%	0.686	S	S	*	*			trans	-101.2	52.5	170.4	74.4	0	0	0	0	113.1	G18	S16-G18 PolarHBondContact O-N 3.35Å
17	S	36	Very low	49.4	Very low	114 Å²	114	115.9 Å²	115.9	80%	0.797	65%	0.646	S	S	*	*			trans	-71.3	84.3	160.8	61.2	0	0	0	0	108.3	F19	S17-F19 PolarHBondContact O-N 3.05Å
18	G	31.1	Very low	52.7	Low	62 Å²	62	110.5 Å²	110.5	64%	0.639	61%	0.608	S	S	*	*			trans	-51.5	132.8	-179.5	0	0	0	0	0	111.9	S16 R20	S16-G18 PolarHBondContact O-N 3.35Å; G18-R20 PolarHBondContact O-N 3.5Å
19	F	35.6	Very low	55.6	Low	210 Å²	210	105.1 Å²	105.1	92%	0.921	57%	0.571	S	S	*	*			trans	-51.1	101.4	165.4	-78.7	-93.7	0	0	0	109	S17	S17-F19 PolarHBondContact O-N 3.05Å
20	R	36.8	Very low	58.8	Low	225 Å²	225	98.1 Å²	98.1	85%	0.849	53%	0.533	S	S	*	.			trans	-70.1	124.6	162	-73.5	-172.1	179.9	-168.6	0.5	106.2	G18 H22	G18-R20 PolarHBondContact O-N 3.5Å; R20-H22 PolarHBondContact O-N 3.26Å
21	P	41.8	Very low	61.9	Low	122 Å²	122	93.8 Å²	93.8	79%	0.792	51%	0.505	S	S	*	.			trans	-56.8	119.8	168.5	-13.7	26.2	0	0	0	106.8	R23	P21-R23 PolarHBondContact O-N 3.29Å
22	H	60.4	Low	65	Low	143 Å²	143	87.2 Å²	87.2	66%	0.662	47%	0.465	S	S	*	.			trans	-58.2	111.5	174.8	-81.9	-60.8	0	0	0	108	R20 Q24	R20-H22 PolarHBondContact O-N 3.26Å; H22-Q24 PolarHBondContact O-N 3.02Å
23	R	80.3	Confident	68.1	Low	140 Å²	140	80.4 Å²	80.4	53%	0.528	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-57.2	135.4	173.7	174.5	-179.5	163.7	-165.3	-10.1	107.8	P21	P21-R23 PolarHBondContact O-N 3.29Å
24	Q	88.5	Confident	71.1	Confident	78 Å²	78	75.4 Å²	75.4	36%	0.364	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-56.3	128.3	172.5	-77	-77.6	-50.4	0	0	109.4	H22 G47 T49	H22-Q24 PolarHBondContact O-N 3.02Å; Q24-G47 PolarHBondContact OE1-O 3.34Å; Q24-T49 WeakPolarHBondContact CG-OG1 3.13Å; Q24-T49 VanDerWaalsContact OE1-N 3.13Å; Q24-T49 PolarHBondContact OE1-OG1 2.93Å; Q24-T49 VanDerWaalsContact OE1-OG1 3.06Å
25	P	92.9	Very high	74.1	Confident	7 Å²	7	69.9 Å²	69.9	5%	0.045	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-71.3	140	179.9	30.8	-34.6	0	0	0	109.9	F48 D319 Y540	P25-F48 HydrophobicContact CG-CD1 3.69Å; P25-F48 HydrophobicContact CG-CE1 3.58Å; P25-D319 WeakPolarHBondContact CA-OD2 3.44Å; P25-D319 HydrophobicContact CB-CB 4.3Å; P25-Y540 HydrophobicContact CB-CE1 3.83Å; P25-Y540 HydrophobicContact CB-CE2 3.91Å; P25-Y540 VanDerWaalsContact CB-CZ 3.42Å; P25-Y540 VanDerWaalsContact CB-OH 3.31Å; P25-Y540 WeakPolarHBondContact CB-OH 3.41Å; P25-Y540 HydrophobicContact CG-CD1 4.14Å; P25-Y540 HydrophobicContact CG-CD2 4.09Å; P25-Y540 HydrophobicContact CG-CE1 3.78Å; P25-Y540 HydrophobicContact CG-CE2 3.76Å; P25-Y540 HydrophobicContact CG-CG 4.3Å
26	R	95.5	Very high	77.1	Confident	65 Å²	65	62.7 Å²	62.7	25%	0.245	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.2	174.7	-173.9	176.5	-68.9	174.1	0.2	110.1	D50 P317 D319 H320	R26-D50 WeakPolarHBondContact CA-O 3.39Å; R26-D50 WeakPolarHBondContact CB-OD2 3.29Å; R26-D50 IonicContact CZ-OD2 2.68Å; R26-D50 IonicContact NE-OD1 2.59Å; R26-D50 IonicContact NE-OD2 3.23Å; R26-D50 PolarHBondContact NE-OD2 2.89Å; R26-D50 IonicContact NH2-OD2 2.69Å; R26-P317 WeakPolarHBondContact CD-O 3.2Å; R26-P317 VanDerWaalsContact NH1-CG 3.29Å; R26-D319 PolarHBondContact N-OD2 3.07Å; R26-D319 PolarHBondContact O-N 2.8Å; R26-H320 PolarHBondContact O-N 3Å
27	I	98	Very high	80.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.3	-176.3	-55.6	171.4	0	0	0	109	V29 L43 F48 D50 V51 T52 H320 I322 L536	I27-V29 HydrophobicContact CG2-CG2 4.42Å; I27-L43 HydrophobicContact CD1-CD1 3.91Å; I27-L43 HydrophobicContact CD1-CD2 3.79Å; I27-L43 HydrophobicContact CD1-CG 4.41Å; I27-L43 HydrophobicContact CG2-CD1 3.9Å; I27-F48 HydrophobicContact CD1-CD1 3.44Å; I27-F48 VanDerWaalsContact CD1-CD1 3.44Å; I27-F48 HydrophobicContact CD1-CE1 3.89Å; I27-F48 HydrophobicContact CD1-CG 4.23Å; I27-D50 PolarHBondContact N-O 2.64Å; I27-V51 HydrophobicContact CB-CG2 4.4Å; I27-V51 CarbonylContact O-C 3.48Å; I27-V51 WeakPolarHBondContact O-CA 3.38Å; I27-T52 PolarHBondContact O-N 2.82Å; I27-H320 WeakPolarHBondContact CA-O 3.05Å; I27-H320 HydrophobicContact CG1-CB 4.34Å; I27-H320 HydrophobicContact CG2-CB 4.5Å; I27-I322 HydrophobicContact CG2-CD1 4.4Å; I27-I322 HydrophobicContact CG2-CG1 4.42Å; I27-L536 HydrophobicContact CD1-CD1 3.89Å; I27-L536 HydrophobicContact CG1-CD1 4.33Å; I27-L536 HydrophobicContact CG2-CD1 4.19Å
28	V	98.8	Very high	83.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132	170.8	173.1	0	0	0	0	109.2	I30 T52 L54 V308 I316 A318 H320 V321 I322	V28-I30 HydrophobicContact CG1-CG1 4.21Å; V28-T52 CarbonylContact C-O 3.53Å; V28-T52 VanDerWaalsContact CA-O 3.3Å; V28-T52 WeakPolarHBondContact CA-O 3.5Å; V28-L54 HydrophobicContact CG1-CD1 3.63Å; V28-L54 HydrophobicContact CG1-CG 3.96Å; V28-V308 HydrophobicContact CB-CG2 4.35Å; V28-V308 HydrophobicContact CG1-CG2 4.13Å; V28-I316 HydrophobicContact CG2-CG2 3.82Å; V28-A318 HydrophobicContact CB-CB 4.34Å; V28-A318 HydrophobicContact CG2-CB 3.84Å; V28-H320 PolarHBondContact N-O 2.7Å; V28-V321 HydrophobicContact CB-CG2 4.25Å; V28-V321 CarbonylContact O-C 3.55Å; V28-V321 WeakPolarHBondContact O-CA 3.31Å; V28-I322 PolarHBondContact O-N 2.73Å
29	V	98.9	Very high	86.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.9	173.2	-177.2	0	0	0	0	107.9	I27 V51 T52 V53 L54 I322 T324	I27-V29 HydrophobicContact CG2-CG2 4.42Å; V29-V51 HydrophobicContact CG2-CG1 4.26Å; V29-T52 PolarHBondContact N-O 3.42Å; V29-V53 HydrophobicContact CB-CG1 4.43Å; V29-V53 HydrophobicContact CB-CG2 4.19Å; V29-V53 CarbonylContact O-C 3.42Å; V29-V53 VanDerWaalsContact O-CA 3.27Å; V29-V53 WeakPolarHBondContact O-CA 3.5Å; V29-L54 PolarHBondContact O-N 3.01Å; V29-I322 WeakPolarHBondContact CA-O 3.21Å; V29-I322 HydrophobicContact CG1-CB 4.47Å; V29-I322 HydrophobicContact CG2-CB 4.31Å; V29-I322 HydrophobicContact CG2-CD1 4.36Å; V29-T324 HydrophobicContact CG1-CG2 4.24Å
30	I	98.8	Very high	89.4	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.3	-179	-57.4	174.3	0	0	0	108.2	V28 V261 I264 V321 I322 T324 T325 M337	V28-I30 HydrophobicContact CG1-CG1 4.21Å; I30-V261 HydrophobicContact CD1-CB 4.41Å; I30-V261 HydrophobicContact CD1-CG1 4.05Å; I30-V261 HydrophobicContact CD1-CG2 4.12Å; I30-V261 HydrophobicContact CG1-CG2 4.09Å; I30-V261 HydrophobicContact CG2-CB 4.28Å; I30-V261 HydrophobicContact CG2-CG2 3.99Å; I30-I264 HydrophobicContact CD1-CD1 3.43Å; I30-I264 VanDerWaalsContact CD1-CD1 3.43Å; I30-I264 HydrophobicContact CD1-CG1 3.73Å; I30-V321 HydrophobicContact CD1-CG1 3.55Å; I30-V321 HydrophobicContact CG1-CG1 4Å; I30-I322 PolarHBondContact N-O 3.07Å; I30-T324 WeakPolarHBondContact O-CA 3.5Å; I30-T324 WeakPolarHBondContact O-CB 3.49Å; I30-T324 PolarHBondContact O-N 2.78Å; I30-T324 PolarHBondContact O-OG1 3.28Å; I30-T325 HydrophobicContact CG2-CG2 3.87Å; I30-M337 HydrophobicContact CG2-CE 4.35Å
31	G	98.7	Very high	92.3	Very high	12 Å²	12	30.7 Å²	30.7	12%	0.124	15%	0.153	C	C	.	.			trans	100.2	132.3	-175.2	0	0	0	0	0	113.1	G36 L54 E55 T324	G31-G36 WeakPolarHBondContact O-CA 3.34Å; G31-L54 PolarHBondContact N-O 3.17Å; G31-E55 WeakPolarHBondContact CA-OE2 3.11Å; G31-T324 PolarHBondContact O-OG1 2.98Å
32	A	98.4	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.			trans	-104.3	33.9	173.7	0	0	0	0	0	112.1	L37 V53 E55 I60 G61 I255	A32-L37 HydrophobicContact CB-CD2 4.23Å; A32-L37 WeakPolarHBondContact O-CD1 3.18Å; A32-L37 WeakPolarHBondContact O-CG 3.44Å; A32-V53 HydrophobicContact CB-CG1 3.88Å; A32-E55 HydrophobicContact CB-CB 3.75Å; A32-E55 HydrophobicContact CB-CG 3.95Å; A32-E55 PolarHBondContact N-OE2 2.91Å; A32-I60 HydrophobicContact CB-CB 4.13Å; A32-I60 HydrophobicContact CB-CG2 3.69Å; A32-G61 PolarHBondContact O-N 3.4Å; A32-I255 HydrophobicContact CB-CG2 4.27Å
33	G	98.4	Very high	96.7	Very high	14 Å²	14	19.2 Å²	19.2	14%	0.144	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-75.6	-179.2	163.6	0	0	0	0	0	112	A35 G36 L37	G33-A35 VanDerWaalsContact C-N 3.28Å; G33-A35 PolarHBondContact O-N 2.87Å; G33-A35 VanDerWaalsContact O-N 3.16Å; G33-G36 PolarHBondContact O-N 3.15Å; G33-G36 VanDerWaalsContact O-N 3.1Å; G33-L37 WeakPolarHBondContact O-CG 3.17Å; G33-L37 PolarHBondContact O-N 2.68Å
34	L	98.1	Very high	97.5	Very high	8 Å²	8	14.5 Å²	14.5	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-52.5	-42.1	-177	-90.2	67	0	0	0	113.6	A38 V64 I242 V243 L246 T522 A525	L34-A38 WeakPolarHBondContact O-CB 3.11Å; L34-A38 PolarHBondContact O-N 3.15Å; L34-V64 HydrophobicContact CD1-CB 4.24Å; L34-V64 HydrophobicContact CD1-CG2 3.52Å; L34-I242 HydrophobicContact CD2-CG2 4.48Å; L34-V243 HydrophobicContact CD1-CG2 3.78Å; L34-L246 HydrophobicContact CB-CD1 4.45Å; L34-L246 HydrophobicContact CG-CD1 3.97Å; L34-T522 VanDerWaalsContact CD2-CB 3.46Å; L34-T522 HydrophobicContact CD2-CG2 3.84Å; L34-A525 HydrophobicContact CB-CB 4.19Å
35	A	98.7	Very high	97.9	Very high	7 Å²	7	17.2 Å²	17.2	6%	0.058	9%	0.086	C	C	.	.	H	α-helix	trans	-63.8	-47.3	179	0	0	0	0	0	112.1	G33 A38 A39 T324 A510 A525 G529	G33-A35 VanDerWaalsContact C-N 3.28Å; G33-A35 PolarHBondContact O-N 2.87Å; G33-A35 VanDerWaalsContact O-N 3.16Å; A35-A38 PolarHBondContact O-N 3.29Å; A35-A39 WeakPolarHBondContact O-CB 3.12Å; A35-A39 PolarHBondContact O-N 3.47Å; A35-T324 HydrophobicContact CB-CG2 4.19Å; A35-A510 HydrophobicContact CB-CB 4.35Å; A35-A525 VanDerWaalsContact CA-O 3.32Å; A35-A525 WeakPolarHBondContact CA-O 3.46Å; A35-A525 HydrophobicContact CB-CB 4.25Å; A35-A525 VanDerWaalsContact CB-O 3.26Å; A35-A525 WeakPolarHBondContact CB-O 3.18Å; A35-G529 WeakPolarHBondContact O-CA 3.15Å
36	G	98.8	Very high	98	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-42.1	-179.6	0	0	0	0	0	112.8	G31 G33 A39 T40	G31-G36 WeakPolarHBondContact O-CA 3.34Å; G33-G36 PolarHBondContact O-N 3.15Å; G33-G36 VanDerWaalsContact O-N 3.1Å; G36-A39 PolarHBondContact O-N 2.97Å; G36-T40 WeakPolarHBondContact O-CB 3.47Å; G36-T40 PolarHBondContact O-N 3.35Å; G36-T40 PolarHBondContact O-OG1 3.11Å
37	L	98.8	Very high	98	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.8	-42.8	175.1	-65.8	174.8	0	0	0	111.6	A32 G33 T40 R41 I60 V243 L246 A247 I250 I255	A32-L37 HydrophobicContact CB-CD2 4.23Å; A32-L37 WeakPolarHBondContact O-CD1 3.18Å; A32-L37 WeakPolarHBondContact O-CG 3.44Å; G33-L37 WeakPolarHBondContact O-CG 3.17Å; G33-L37 PolarHBondContact O-N 2.68Å; L37-T40 PolarHBondContact O-N 3.46Å; L37-R41 VanDerWaalsContact O-CB 3.27Å; L37-R41 WeakPolarHBondContact O-CB 3.43Å; L37-R41 PolarHBondContact O-N 2.73Å; L37-I60 HydrophobicContact CD1-CD1 4.43Å; L37-V243 HydrophobicContact CD1-CG1 3.6Å; L37-L246 HydrophobicContact CB-CB 4.01Å; L37-L246 HydrophobicContact CD1-CB 4.42Å; L37-A247 HydrophobicContact CD2-CB 4.31Å; L37-I250 HydrophobicContact CD2-CD1 3.9Å; L37-I255 HydrophobicContact CD2-CD1 3.89Å
38	A	98.6	Very high	97.9	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-63.1	-45.5	176.8	0	0	0	0	0	111.8	L34 A35 R41 V42 L526 Q530	L34-A38 WeakPolarHBondContact O-CB 3.11Å; L34-A38 PolarHBondContact O-N 3.15Å; A35-A38 PolarHBondContact O-N 3.29Å; A38-R41 PolarHBondContact O-N 3.35Å; A38-V42 WeakPolarHBondContact O-CG2 2.75Å; A38-V42 PolarHBondContact O-N 2.97Å; A38-L526 HydrophobicContact CB-CG 4.08Å; A38-Q530 HydrophobicContact CB-CG 4.34Å
39	A	98.8	Very high	97.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-49.2	175.6	0	0	0	0	0	111.3	A35 G36 R41 V42 L43 I322 G529 A533	A35-A39 WeakPolarHBondContact O-CB 3.12Å; A35-A39 PolarHBondContact O-N 3.47Å; G36-A39 PolarHBondContact O-N 2.97Å; A39-R41 PolarHBondContact O-N 2.97Å; A39-V42 PolarHBondContact O-N 3.41Å; A39-L43 VanDerWaalsContact O-CG 3.31Å; A39-L43 WeakPolarHBondContact O-CG 3.16Å; A39-L43 PolarHBondContact O-N 3.02Å; A39-I322 HydrophobicContact CB-CD1 4.05Å; A39-G529 WeakPolarHBondContact CA-O 3.49Å; A39-G529 WeakPolarHBondContact CB-O 3.29Å; A39-A533 HydrophobicContact CB-CB 4.36Å
40	T	98.8	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-47.8	179.7	-57.3	0	0	0	0	111.5	G36 L37 V42 L43 L44 V51 V53 I250 T254	G36-T40 WeakPolarHBondContact O-CB 3.47Å; G36-T40 PolarHBondContact O-N 3.35Å; G36-T40 PolarHBondContact O-OG1 3.11Å; L37-T40 PolarHBondContact O-N 3.46Å; T40-V42 VanDerWaalsContact C-N 3.32Å; T40-V42 PolarHBondContact O-N 2.98Å; T40-L43 PolarHBondContact O-N 3.25Å; T40-L44 HydrophobicContact CG2-CD1 3.95Å; T40-L44 HydrophobicContact CG2-CG 4.27Å; T40-L44 WeakPolarHBondContact O-CB 3.43Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.49Å; T40-L44 PolarHBondContact O-N 2.91Å; T40-V51 HydrophobicContact CG2-CG1 4.01Å; T40-V53 HydrophobicContact CG2-CG2 3.84Å; T40-V53 VanDerWaalsContact OG1-CG2 3.23Å; T40-V53 WeakPolarHBondContact OG1-CG2 3.26Å; T40-I250 HydrophobicContact CG2-CD1 3.8Å; T40-I250 HydrophobicContact CG2-CG1 4.19Å; T40-I250 HydrophobicContact CG2-CG2 3.94Å; T40-T254 HydrophobicContact CG2-CG2 3.89Å
41	R	97.8	Very high	97.5	Very high	39 Å²	39	26.7 Å²	26.7	15%	0.147	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-44	177.5	-178.2	178.4	-177	72	4.5	111.7	L37 A38 A39 K45 D249	L37-R41 VanDerWaalsContact O-CB 3.27Å; L37-R41 WeakPolarHBondContact O-CB 3.43Å; L37-R41 PolarHBondContact O-N 2.73Å; A38-R41 PolarHBondContact O-N 3.35Å; A39-R41 PolarHBondContact O-N 2.97Å; R41-K45 HydrophobicContact CG-CD 4.34Å; R41-K45 VanDerWaalsContact O-CB 3.32Å; R41-K45 WeakPolarHBondContact O-CB 3.39Å; R41-K45 VanDerWaalsContact O-CG 3.28Å; R41-K45 WeakPolarHBondContact O-CG 3.14Å; R41-K45 PolarHBondContact O-N 3.5Å; R41-D249 IonicContact CZ-OD2 3.37Å; R41-D249 IonicContact NH1-OD2 3.22Å; R41-D249 PolarHBondContact NH1-OD2 3.37Å; R41-D249 IonicContact NH2-OD2 2.8Å; R41-D249 PolarHBondContact NH2-OD2 3.18Å
42	V	97.9	Very high	97.5	Very high	24 Å²	24	27.5 Å²	27.5	15%	0.145	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-46.7	178.6	173.7	0	0	0	0	110.9	A38 A39 T40 K45 N46 Q530 A533 M537	A38-V42 WeakPolarHBondContact O-CG2 2.75Å; A38-V42 PolarHBondContact O-N 2.97Å; A39-V42 PolarHBondContact O-N 3.41Å; T40-V42 VanDerWaalsContact C-N 3.32Å; T40-V42 PolarHBondContact O-N 2.98Å; V42-K45 PolarHBondContact O-N 3.03Å; V42-N46 PolarHBondContact O-N 3.07Å; V42-N46 VanDerWaalsContact O-N 3.13Å; V42-N46 PolarHBondContact O-ND2 3.4Å; V42-Q530 HydrophobicContact CG2-CB 4.33Å; V42-Q530 HydrophobicContact CG2-CG 3.81Å; V42-A533 HydrophobicContact CB-CB 3.7Å; V42-A533 HydrophobicContact CG1-CB 3.58Å; V42-M537 HydrophobicContact CG1-SD 3.72Å
43	L	98.1	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-51.8	178.2	-71.5	169.3	0	0	0	111.3	I27 A39 T40 K45 N46 G47 F48 V51 I322 A533 L536	I27-L43 HydrophobicContact CD1-CD1 3.91Å; I27-L43 HydrophobicContact CD1-CD2 3.79Å; I27-L43 HydrophobicContact CD1-CG 4.41Å; I27-L43 HydrophobicContact CG2-CD1 3.9Å; A39-L43 VanDerWaalsContact O-CG 3.31Å; A39-L43 WeakPolarHBondContact O-CG 3.16Å; A39-L43 PolarHBondContact O-N 3.02Å; T40-L43 PolarHBondContact O-N 3.25Å; L43-K45 PolarHBondContact O-N 3.3Å; L43-N46 CarbonylContact O-C 3.57Å; L43-N46 PolarHBondContact O-N 2.8Å; L43-N46 VanDerWaalsContact O-N 3.09Å; L43-G47 PolarHBondContact O-N 3.26Å; L43-F48 HydrophobicContact CB-CB 4.1Å; L43-F48 HydrophobicContact CB-CG 4.36Å; L43-F48 HydrophobicContact CD2-CD1 4.29Å; L43-F48 HydrophobicContact CD2-CD2 4.08Å; L43-F48 HydrophobicContact CD2-CE1 4.48Å; L43-F48 HydrophobicContact CD2-CE2 4.32Å; L43-F48 HydrophobicContact CD2-CG 4.07Å; L43-F48 HydrophobicContact CD2-CZ 4.5Å; L43-F48 WeakPolarHBondContact O-CB 3.45Å; L43-F48 WeakPolarHBondContact O-CD2 3.5Å; L43-F48 PolarHBondContact O-N 3.29Å; L43-F48 VanDerWaalsContact O-N 3.14Å; L43-V51 HydrophobicContact CB-CG2 4.19Å; L43-V51 HydrophobicContact CD1-CG1 4.41Å; L43-V51 HydrophobicContact CD1-CG2 4.45Å; L43-I322 HydrophobicContact CD1-CD1 4.04Å; L43-A533 HydrophobicContact CD2-CB 4.1Å; L43-A533 HydrophobicContact CG-CB 3.85Å; L43-L536 HydrophobicContact CD2-CB 4.35Å; L43-L536 HydrophobicContact CD2-CD1 4.42Å
44	L	97.1	Very high	97.6	Very high	40 Å²	40	26.9 Å²	26.9	21%	0.209	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-43.5	-179.5	-66.7	-179.7	0	0	0	112	T40 N46 G47 F48 V51 I250	T40-L44 HydrophobicContact CG2-CD1 3.95Å; T40-L44 HydrophobicContact CG2-CG 4.27Å; T40-L44 WeakPolarHBondContact O-CB 3.43Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.49Å; T40-L44 PolarHBondContact O-N 2.91Å; L44-N46 PolarHBondContact O-N 3.17Å; L44-G47 PolarHBondContact O-N 2.89Å; L44-G47 VanDerWaalsContact O-N 3.1Å; L44-F48 VanDerWaalsContact CD2-O 3.29Å; L44-F48 WeakPolarHBondContact CD2-O 3.43Å; L44-V51 HydrophobicContact CD2-CB 4.13Å; L44-V51 HydrophobicContact CD2-CG2 3.99Å; L44-I250 HydrophobicContact CD1-CB 4.4Å; L44-I250 HydrophobicContact CD1-CG1 4.3Å; L44-I250 HydrophobicContact CD1-CG2 4.09Å
45	K	96.2	Very high	97.6	Very high	135 Å²	135	27.2 Å²	27.2	59%	0.587	15%	0.152	S	C	*	.	H	α-helix	trans	-61.7	-25.7	176.3	-79.2	-172.6	177.1	-168.5	0	113.3	R41 V42 L43	R41-K45 HydrophobicContact CG-CD 4.34Å; R41-K45 VanDerWaalsContact O-CB 3.32Å; R41-K45 WeakPolarHBondContact O-CB 3.39Å; R41-K45 VanDerWaalsContact O-CG 3.28Å; R41-K45 WeakPolarHBondContact O-CG 3.14Å; R41-K45 PolarHBondContact O-N 3.5Å; V42-K45 PolarHBondContact O-N 3.03Å; L43-K45 PolarHBondContact O-N 3.3Å
46	N	95.6	Very high	97.6	Very high	71 Å²	71	27.9 Å²	27.9	38%	0.38	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	18.9	178.5	-71.7	-81.6	0	0	0	113.1	V42 L43 L44 F48 M537	V42-N46 PolarHBondContact O-N 3.07Å; V42-N46 VanDerWaalsContact O-N 3.13Å; V42-N46 PolarHBondContact O-ND2 3.4Å; L43-N46 CarbonylContact O-C 3.57Å; L43-N46 PolarHBondContact O-N 2.8Å; L43-N46 VanDerWaalsContact O-N 3.09Å; L44-N46 PolarHBondContact O-N 3.17Å; N46-F48 HydrophobicContact CB-CD2 4.45Å; N46-M537 HydrophobicContact CB-CE 3.78Å; N46-M537 HydrophobicContact CB-CG 4.21Å; N46-M537 HydrophobicContact CB-SD 3.79Å; N46-M537 VanDerWaalsContact CG-SD 3.56Å; N46-M537 PolarHBondContact ND2-SD 3.02Å; N46-M537 WeakPolarHBondContact OD1-CE 3.48Å
47	G	94.7	Very high	97.5	Very high	41 Å²	41	28.8 Å²	28.8	42%	0.423	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	11.9	168.6	0	0	0	0	0	115.2	Q24 L43 L44	Q24-G47 PolarHBondContact OE1-O 3.34Å; L43-G47 PolarHBondContact O-N 3.26Å; L44-G47 PolarHBondContact O-N 2.89Å; L44-G47 VanDerWaalsContact O-N 3.1Å
48	F	95.5	Very high	97.5	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.044	19%	0.194	C	C	.	.			trans	-74.1	128.9	165.4	-67.9	-103.5	0	0	0	108.4	P25 I27 L43 L44 N46 V51 M537 Y540	P25-F48 HydrophobicContact CG-CD1 3.69Å; P25-F48 HydrophobicContact CG-CE1 3.58Å; I27-F48 HydrophobicContact CD1-CD1 3.44Å; I27-F48 VanDerWaalsContact CD1-CD1 3.44Å; I27-F48 HydrophobicContact CD1-CE1 3.89Å; I27-F48 HydrophobicContact CD1-CG 4.23Å; L43-F48 HydrophobicContact CB-CB 4.1Å; L43-F48 HydrophobicContact CB-CG 4.36Å; L43-F48 HydrophobicContact CD2-CD1 4.29Å; L43-F48 HydrophobicContact CD2-CD2 4.08Å; L43-F48 HydrophobicContact CD2-CE1 4.48Å; L43-F48 HydrophobicContact CD2-CE2 4.32Å; L43-F48 HydrophobicContact CD2-CG 4.07Å; L43-F48 HydrophobicContact CD2-CZ 4.5Å; L43-F48 WeakPolarHBondContact O-CB 3.45Å; L43-F48 WeakPolarHBondContact O-CD2 3.5Å; L43-F48 PolarHBondContact O-N 3.29Å; L43-F48 VanDerWaalsContact O-N 3.14Å; L44-F48 VanDerWaalsContact CD2-O 3.29Å; L44-F48 WeakPolarHBondContact CD2-O 3.43Å; N46-F48 HydrophobicContact CB-CD2 4.45Å; F48-V51 HydrophobicContact CB-CG2 4.07Å; F48-M537 HydrophobicContact CE2-CB 4.44Å; F48-M537 HydrophobicContact CE2-CG 3.68Å; F48-M537 HydrophobicContact CZ-CG 4.26Å; F48-Y540 AromaticContact CE1-CD2 3.81Å; F48-Y540 HydrophobicContact CE1-CD2 3.81Å; F48-Y540 HydrophobicContact CE1-CE2 4.43Å; F48-Y540 HydrophobicContact CE1-CG 4.21Å; F48-Y540 HydrophobicContact CZ-CD2 4.04Å; F48-Y540 HydrophobicContact CZ-CG 4.3Å
49	T	94.7	Very high	97.4	Very high	105 Å²	105	37.4 Å²	37.4	64%	0.644	21%	0.207	S	C	*	.			trans	-118.6	-16.7	-171.2	50.4	0	0	0	0	114.5	Q24	Q24-T49 WeakPolarHBondContact CG-OG1 3.13Å; Q24-T49 VanDerWaalsContact OE1-N 3.13Å; Q24-T49 PolarHBondContact OE1-OG1 2.93Å; Q24-T49 VanDerWaalsContact OE1-OG1 3.06Å
50	D	96.3	Very high	97.3	Very high	47 Å²	47	39 Å²	39	25%	0.251	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	68.5	176.7	-165.2	2.7	0	0	0	109.7	R26 I27	R26-D50 WeakPolarHBondContact CA-O 3.39Å; R26-D50 WeakPolarHBondContact CB-OD2 3.29Å; R26-D50 IonicContact CZ-OD2 2.68Å; R26-D50 IonicContact NE-OD1 2.59Å; R26-D50 IonicContact NE-OD2 3.23Å; R26-D50 PolarHBondContact NE-OD2 2.89Å; R26-D50 IonicContact NH2-OD2 2.69Å; I27-D50 PolarHBondContact N-O 2.64Å
51	V	98.3	Very high	97.2	Very high	5 Å²	5	39 Å²	39	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.2	177.7	-172.2	0	0	0	0	109.1	I27 V29 T40 L43 L44 F48 T254	I27-V51 HydrophobicContact CB-CG2 4.4Å; I27-V51 CarbonylContact O-C 3.48Å; I27-V51 WeakPolarHBondContact O-CA 3.38Å; V29-V51 HydrophobicContact CG2-CG1 4.26Å; T40-V51 HydrophobicContact CG2-CG1 4.01Å; L43-V51 HydrophobicContact CB-CG2 4.19Å; L43-V51 HydrophobicContact CD1-CG1 4.41Å; L43-V51 HydrophobicContact CD1-CG2 4.45Å; L44-V51 HydrophobicContact CD2-CB 4.13Å; L44-V51 HydrophobicContact CD2-CG2 3.99Å; F48-V51 HydrophobicContact CB-CG2 4.07Å; V51-T254 VanDerWaalsContact O-CG2 3.29Å; V51-T254 WeakPolarHBondContact O-CG2 3.45Å
52	T	98.7	Very high	97.2	Very high	30 Å²	30	38 Å²	38	18%	0.184	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.4	175.5	-57.7	0	0	0	0	109.9	I27 V28 V29 L54 T254	I27-T52 PolarHBondContact O-N 2.82Å; V28-T52 CarbonylContact C-O 3.53Å; V28-T52 VanDerWaalsContact CA-O 3.3Å; V28-T52 WeakPolarHBondContact CA-O 3.5Å; V29-T52 PolarHBondContact N-O 3.42Å; T52-L54 HydrophobicContact CG2-CD2 3.78Å; T52-T254 CarbonylContact C-O 3.43Å
53	V	98.9	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.2	175.7	-172.9	0	0	0	0	108.4	V29 A32 T40 T254 I255 C256	V29-V53 HydrophobicContact CB-CG1 4.43Å; V29-V53 HydrophobicContact CB-CG2 4.19Å; V29-V53 CarbonylContact O-C 3.42Å; V29-V53 VanDerWaalsContact O-CA 3.27Å; V29-V53 WeakPolarHBondContact O-CA 3.5Å; A32-V53 HydrophobicContact CB-CG1 3.88Å; T40-V53 HydrophobicContact CG2-CG2 3.84Å; T40-V53 VanDerWaalsContact OG1-CG2 3.23Å; T40-V53 WeakPolarHBondContact OG1-CG2 3.26Å; V53-T254 HydrophobicContact CG2-CG2 4.07Å; V53-T254 PolarHBondContact N-O 2.93Å; V53-I255 HydrophobicContact CB-CB 4.48Å; V53-I255 HydrophobicContact CB-CG1 4.17Å; V53-I255 HydrophobicContact CB-CG2 4.46Å; V53-I255 HydrophobicContact CG2-CG1 4.25Å; V53-C256 PolarHBondContact O-N 3.36Å
54	L	98.9	Very high	97.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.5	177.3	-50.9	177.2	0	0	0	108.4	V28 V29 G31 T52 C256 K259 V261 V308 I316	V28-L54 HydrophobicContact CG1-CD1 3.63Å; V28-L54 HydrophobicContact CG1-CG 3.96Å; V29-L54 PolarHBondContact O-N 3.01Å; G31-L54 PolarHBondContact N-O 3.17Å; T52-L54 HydrophobicContact CG2-CD2 3.78Å; L54-C256 HydrophobicContact CD2-CB 4.09Å; L54-K259 HydrophobicContact CB-CG 4.33Å; L54-K259 HydrophobicContact CD2-CG 3.76Å; L54-V261 HydrophobicContact CB-CG2 4.04Å; L54-V261 HydrophobicContact CD1-CG2 3.6Å; L54-V261 HydrophobicContact CG-CG2 4.49Å; L54-V308 HydrophobicContact CD1-CG1 3.78Å; L54-I316 HydrophobicContact CD1-CD1 3.88Å; L54-I316 HydrophobicContact CD2-CD1 3.6Å; L54-I316 HydrophobicContact CG-CD1 4.39Å
55	E	98.8	Very high	97.1	Very high	15 Å²	15	41 Å²	41	7%	0.07	23%	0.227	C	C	.	.			trans	-112.1	125.8	179.7	172.9	48.4	-124.8	0	0	109.3	G31 A32 S57 H59 C256 L257 C258 K259	G31-E55 WeakPolarHBondContact CA-OE2 3.11Å; A32-E55 HydrophobicContact CB-CB 3.75Å; A32-E55 HydrophobicContact CB-CG 3.95Å; A32-E55 PolarHBondContact N-OE2 2.91Å; E55-S57 WeakPolarHBondContact OE1-CB 3.35Å; E55-S57 PolarHBondContact OE1-N 3.17Å; E55-S57 PolarHBondContact OE1-OG 3.32Å; E55-H59 VanDerWaalsContact CG-O 3.26Å; E55-H59 WeakPolarHBondContact CG-O 3.36Å; E55-C256 PolarHBondContact N-O 3.05Å; E55-L257 HydrophobicContact CB-CD2 3.9Å; E55-L257 HydrophobicContact CG-CD2 3.74Å; E55-L257 CarbonylContact O-C 3.6Å; E55-C258 PolarHBondContact O-N 2.9Å; E55-K259 PolarHBondContact O-N 2.93Å
56	A	98.4	Very high	97.1	Very high	21 Å²	21	35.9 Å²	35.9	17%	0.174	21%	0.208	C	C	.	.	S	Bend	trans	-71.2	-34.4	-175.1	0	0	0	0	0	112.3	C258 P260 Y470	A56-C258 WeakPolarHBondContact O-CA 3.48Å; A56-P260 HydrophobicContact CB-CB 3.96Å; A56-Y470 HydrophobicContact CB-CD1 3.52Å; A56-Y470 HydrophobicContact CB-CD2 3.89Å; A56-Y470 HydrophobicContact CB-CE1 3.85Å; A56-Y470 HydrophobicContact CB-CE2 4.19Å; A56-Y470 HydrophobicContact CB-CG 3.54Å
57	S	97.3	Very high	97.1	Very high	19 Å²	19	34.5 Å²	34.5	13%	0.133	20%	0.202	C	C	.	.	S	Bend	trans	-82.5	171.4	178.3	67.3	0	0	0	0	112.8	E55 H59 C258	E55-S57 WeakPolarHBondContact OE1-CB 3.35Å; E55-S57 PolarHBondContact OE1-N 3.17Å; E55-S57 PolarHBondContact OE1-OG 3.32Å; S57-H59 PolarHBondContact O-N 3.01Å; S57-H59 PolarHBondContact OG-O 3.23Å; S57-C258 PolarHBondContact O-N 3.21Å
58	D	97.3	Very high	97.1	Very high	116 Å²	116	38.7 Å²	38.7	62%	0.62	21%	0.209	S	C	*	.	S	Bend	trans	-82.7	6.7	177.2	64.8	-18	0	0	0	113.5
59	H	96.9	Very high	96.8	Very high	66 Å²	66	39.1 Å²	39.1	31%	0.306	21%	0.211	S	C	.	.	S	Bend	trans	-146.7	163	-178.6	61.5	-72.5	0	0	0	111.5	E55 S57	E55-H59 VanDerWaalsContact CG-O 3.26Å; E55-H59 WeakPolarHBondContact CG-O 3.36Å; S57-H59 PolarHBondContact O-N 3.01Å; S57-H59 PolarHBondContact OG-O 3.23Å
60	I	97.9	Very high	96.5	Very high	33 Å²	33	37.5 Å²	37.5	17%	0.169	22%	0.216	C	C	.	.	S	Bend	trans	-91.6	166.6	172.6	61.4	173.8	0	0	0	110.7	A32 L37 V243 A247 I255 L257	A32-I60 HydrophobicContact CB-CB 4.13Å; A32-I60 HydrophobicContact CB-CG2 3.69Å; L37-I60 HydrophobicContact CD1-CD1 4.43Å; I60-V243 HydrophobicContact CB-CG1 4.22Å; I60-V243 HydrophobicContact CD1-CG1 3.71Å; I60-V243 HydrophobicContact CG1-CG1 3.68Å; I60-A247 HydrophobicContact CD1-CB 3.61Å; I60-I255 HydrophobicContact CG2-CD1 4.39Å; I60-I255 HydrophobicContact CG2-CG2 4.09Å; I60-L257 HydrophobicContact CG2-CD2 3.93Å
61	G	97.1	Very high	95.8	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.021	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	109.7	-28.4	173.2	0	0	0	0	0	114.4	A32 R63 V64	A32-G61 PolarHBondContact O-N 3.4Å; G61-R63 PolarHBondContact O-N 2.76Å; G61-R63 VanDerWaalsContact O-N 3.07Å; G61-V64 PolarHBondContact O-N 3.48Å; G61-V64 VanDerWaalsContact O-N 3.15Å
62	G	96.9	Very high	95.3	Very high	17 Å²	17	43.6 Å²	43.6	18%	0.175	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-108.6	177.9	0	0	0	0	0	111.9	V64	G62-V64 PolarHBondContact O-N 3.38Å
63	R	97.4	Very high	95.1	Very high	57 Å²	57	42.5 Å²	42.5	22%	0.215	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.3	179.5	-73.4	175.6	-79.4	-177.3	2.4	114.7	G61 G77 A78 W465 I471 S474 E512	G61-R63 PolarHBondContact O-N 2.76Å; G61-R63 VanDerWaalsContact O-N 3.07Å; R63-G77 VanDerWaalsContact O-CA 3.3Å; R63-G77 WeakPolarHBondContact O-CA 3.29Å; R63-A78 PolarHBondContact O-N 3.43Å; R63-W465 HydrophobicContact CB-CZ3 4.31Å; R63-W465 HydrophobicContact CG-CE3 4.03Å; R63-W465 HydrophobicContact CG-CZ3 4.02Å; R63-I471 HydrophobicContact CG-CD1 4.19Å; R63-I471 HydrophobicContact CG-CG2 3.49Å; R63-I471 VanDerWaalsContact CG-CG2 3.49Å; R63-S474 WeakPolarHBondContact CD-O 3.42Å; R63-S474 PolarHBondContact NH1-O 3.32Å; R63-E512 IonicContact CZ-OE1 3.55Å; R63-E512 IonicContact NH1-OE1 3.74Å; R63-E512 PolarHBondContact NH1-OE1 2.89Å; R63-E512 IonicContact NH2-OE1 2.64Å; R63-E512 PolarHBondContact NH2-OE1 2.98Å
64	V	97.8	Very high	94.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	24%	0.236	C	C	.	.			trans	-100.9	115	166.6	179.8	0	0	0	0	106.9	L34 G61 G62 A78 F239 M240 V243 T522	L34-V64 HydrophobicContact CD1-CB 4.24Å; L34-V64 HydrophobicContact CD1-CG2 3.52Å; G61-V64 PolarHBondContact O-N 3.48Å; G61-V64 VanDerWaalsContact O-N 3.15Å; G62-V64 PolarHBondContact O-N 3.38Å; V64-A78 HydrophobicContact CG2-CB 4.04Å; V64-F239 HydrophobicContact CG1-CB 3.85Å; V64-F239 HydrophobicContact CG1-CD1 3.93Å; V64-F239 HydrophobicContact CG1-CG 4.27Å; V64-F239 HydrophobicContact CG2-CD1 4.42Å; V64-M240 HydrophobicContact CB-SD 4.46Å; V64-M240 HydrophobicContact CG1-CG 4.46Å; V64-M240 HydrophobicContact CG1-SD 4.02Å; V64-V243 HydrophobicContact CB-CG2 3.9Å; V64-V243 HydrophobicContact CG1-CG2 3.77Å; V64-V243 HydrophobicContact CG2-CG2 4.5Å; V64-T522 HydrophobicContact CG2-CG2 4.08Å
65	Q	96.6	Very high	94.7	Very high	65 Å²	65	43.2 Å²	43.2	30%	0.304	24%	0.239	S	C	.	.			trans	-145.5	116	-178.3	-173	178.8	13.1	0	0	109.9	L76 G77 W465	Q65-L76 HydrophobicContact CB-CB 4.36Å; Q65-L76 HydrophobicContact CG-CB 4.49Å; Q65-L76 HydrophobicContact CG-CD1 4.38Å; Q65-L76 PolarHBondContact O-N 3.35Å; Q65-G77 PolarHBondContact O-N 3.42Å; Q65-W465 HydrophobicContact CB-CH2 3.82Å; Q65-W465 HydrophobicContact CB-CZ2 4.21Å
66	S	96.2	Very high	94.5	Very high	29 Å²	29	43.3 Å²	43.3	20%	0.203	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.8	179.5	-47.1	0	0	0	0	109.5	L74 E75 F239 M240	S66-L74 CarbonylContact C-O 3.44Å; S66-L74 WeakPolarHBondContact CA-O 3.46Å; S66-E75 WeakPolarHBondContact CB-OE2 3.46Å; S66-E75 PolarHBondContact OG-OE1 2.82Å; S66-E75 PolarHBondContact OG-OE2 3.35Å; S66-F239 PolarHBondContact OG-N 2.92Å; S66-M240 WeakPolarHBondContact OG-CG 3.48Å; S66-M240 PolarHBondContact OG-N 3.44Å; S66-M240 VanDerWaalsContact OG-N 3.1Å
67	V	95.2	Very high	94.4	Very high	41 Å²	41	43 Å²	43	25%	0.248	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.3	179.5	176.9	0	0	0	0	109.4	L74 L76	V67-L74 PolarHBondContact N-O 3.17Å; V67-L74 PolarHBondContact O-N 2.67Å; V67-L76 HydrophobicContact CG2-CD1 3.6Å; V67-L76 HydrophobicContact CG2-CG 3.84Å
68	K	94.7	Very high	94.2	Very high	130 Å²	130	43.4 Å²	43.4	57%	0.565	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.3	174.7	-70.1	-65.6	-179.6	-170.7	0	110.7	T73 E237	K68-T73 PolarHBondContact NZ-OG1 3.27Å; K68-E237 PolarHBondContact NZ-O 3.27Å; K68-E237 VanDerWaalsContact NZ-O 3.11Å
69	N	89.2	Confident	94	Very high	18 Å²	18	39.1 Å²	39.1	10%	0.096	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	96.5	169.3	172.3	36.6	0	0	0	110.1	E71 A72 L74 M416 R459	N69-E71 PolarHBondContact O-N 2.9Å; N69-A72 HydrophobicContact CB-CB 4.49Å; N69-A72 PolarHBondContact N-O 3.02Å; N69-A72 WeakPolarHBondContact O-CA 3.47Å; N69-A72 WeakPolarHBondContact O-CB 3.39Å; N69-A72 PolarHBondContact O-N 3.43Å; N69-L74 HydrophobicContact CB-CD1 4.09Å; N69-L74 HydrophobicContact CB-CG 4.37Å; N69-M416 WeakPolarHBondContact ND2-CE 3.32Å; N69-R459 PolarHBondContact ND2-NH2 2.7Å; N69-R459 PolarHBondContact OD1-NH1 2.85Å; N69-R459 PolarHBondContact OD1-NH2 3.41Å
70	G	87.3	Confident	93.6	Very high	71 Å²	71	37.8 Å²	37.8	73%	0.732	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	-121.9	-172.8	0	0	0	0	0	109.6
71	E	82.9	Confident	93.3	Very high	180 Å²	180	36.2 Å²	36.2	84%	0.841	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-16.2	174.7	-59.7	-169.6	160.3	0	0	113.3	N69	N69-E71 PolarHBondContact O-N 2.9Å
72	A	87.9	Confident	92.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	153.2	177.4	0	0	0	0	0	112.9	N69 R412 Y413	N69-A72 HydrophobicContact CB-CB 4.49Å; N69-A72 PolarHBondContact N-O 3.02Å; N69-A72 WeakPolarHBondContact O-CA 3.47Å; N69-A72 WeakPolarHBondContact O-CB 3.39Å; N69-A72 PolarHBondContact O-N 3.43Å; A72-R412 HydrophobicContact CB-CG 4.38Å; A72-R412 WeakPolarHBondContact CB-O 3.5Å; A72-Y413 HydrophobicContact CB-CD1 3.88Å; A72-Y413 HydrophobicContact CB-CE1 4.34Å
73	T	93.1	Very high	92.3	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.9	165.8	-42.5	0	0	0	0	108.9	K68 P236 E237	K68-T73 PolarHBondContact NZ-OG1 3.27Å; T73-P236 PolarHBondContact OG1-O 3.5Å; T73-E237 PolarHBondContact OG1-O 3.11Å
74	L	94.3	Very high	91.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.8	176.5	-60.3	176.9	0	0	0	109.5	S66 V67 N69 F362 L407 Y413 M416 L461	S66-L74 CarbonylContact C-O 3.44Å; S66-L74 WeakPolarHBondContact CA-O 3.46Å; V67-L74 PolarHBondContact N-O 3.17Å; V67-L74 PolarHBondContact O-N 2.67Å; N69-L74 HydrophobicContact CB-CD1 4.09Å; N69-L74 HydrophobicContact CB-CG 4.37Å; L74-F362 HydrophobicContact CB-CE2 4.4Å; L74-F362 HydrophobicContact CB-CZ 4.36Å; L74-F362 HydrophobicContact CD1-CB 4.31Å; L74-F362 HydrophobicContact CD1-CD1 4.35Å; L74-F362 HydrophobicContact CD1-CG 4.14Å; L74-F362 HydrophobicContact CD2-CD1 4.1Å; L74-F362 HydrophobicContact CD2-CE1 4.12Å; L74-L407 HydrophobicContact CD2-CD1 3.72Å; L74-Y413 HydrophobicContact CD2-CD1 3.89Å; L74-Y413 HydrophobicContact CD2-CE1 4.16Å; L74-M416 HydrophobicContact CD1-CE 4.06Å; L74-M416 HydrophobicContact CD1-SD 4.46Å; L74-L461 HydrophobicContact CD1-CD1 3.55Å
75	E	95.1	Very high	91.3	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.065	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.1	179.3	-63.5	-58.7	156.8	0	0	110.3	S66 G77 T79 G238 F239 K360 F362	S66-E75 WeakPolarHBondContact CB-OE2 3.46Å; S66-E75 PolarHBondContact OG-OE1 2.82Å; S66-E75 PolarHBondContact OG-OE2 3.35Å; E75-G77 VanDerWaalsContact C-N 3.3Å; E75-T79 WeakPolarHBondContact CB-OG1 3.44Å; E75-T79 HydrophobicContact CG-CG2 4.39Å; E75-G238 WeakPolarHBondContact OE1-CA 3.28Å; E75-F239 PolarHBondContact OE1-N 3.36Å; E75-K360 WeakPolarHBondContact O-CD 3.49Å; E75-K360 PolarHBondContact O-NZ 3.17Å; E75-F362 WeakPolarHBondContact O-CZ 3.1Å
76	L	96.1	Very high	90.9	Very high	17 Å²	17	40 Å²	40	9%	0.089	24%	0.24	C	C	.	.	S	Bend	trans	-74.7	-26.7	170	-61.2	-173	0	0	0	111.4	Q65 V67 F362 W465	Q65-L76 HydrophobicContact CB-CB 4.36Å; Q65-L76 HydrophobicContact CG-CB 4.49Å; Q65-L76 HydrophobicContact CG-CD1 4.38Å; Q65-L76 PolarHBondContact O-N 3.35Å; V67-L76 HydrophobicContact CG2-CD1 3.6Å; V67-L76 HydrophobicContact CG2-CG 3.84Å; L76-F362 HydrophobicContact CD2-CD2 4.2Å; L76-F362 HydrophobicContact CD2-CE2 3.96Å; L76-W465 HydrophobicContact CB-CZ2 4.34Å; L76-W465 PolarHBondContact O-NE1 2.93Å
77	G	95.1	Very high	90.9	Very high	14 Å²	14	38.7 Å²	38.7	14%	0.144	23%	0.231	C	C	.	.	S	Bend	trans	-109.4	-130.2	-178.2	0	0	0	0	0	113	R63 Q65 E75 T79 K360 W465	R63-G77 VanDerWaalsContact O-CA 3.3Å; R63-G77 WeakPolarHBondContact O-CA 3.29Å; Q65-G77 PolarHBondContact O-N 3.42Å; E75-G77 VanDerWaalsContact C-N 3.3Å; G77-T79 PolarHBondContact O-N 2.77Å; G77-K360 PolarHBondContact O-NZ 3.43Å; G77-W465 VanDerWaalsContact CA-CZ2 3.43Å
78	A	94.4	Very high	90.9	Very high	28 Å²	28	38.3 Å²	38.3	23%	0.231	23%	0.229	C	C	.	.			trans	-59.6	131.3	176.6	0	0	0	0	0	112.5	R63 V64 F239 T522	R63-A78 PolarHBondContact O-N 3.43Å; V64-A78 HydrophobicContact CG2-CB 4.04Å; A78-F239 HydrophobicContact CB-CD1 4.46Å; A78-F239 HydrophobicContact CB-CD2 4.48Å; A78-F239 HydrophobicContact CB-CG 4.42Å; A78-F239 WeakPolarHBondContact O-CB 3.44Å; A78-T522 HydrophobicContact CB-CG2 3.5Å; A78-T522 VanDerWaalsContact CB-CG2 3.5Å
79	T	91.3	Very high	91	Very high	26 Å²	26	32.1 Å²	32.1	16%	0.16	20%	0.202	C	C	.	.			trans	-112	-35.7	177.9	-61.4	0	0	0	0	113.3	E75 G77 V234 K360	E75-T79 WeakPolarHBondContact CB-OG1 3.44Å; E75-T79 HydrophobicContact CG-CG2 4.39Å; G77-T79 PolarHBondContact O-N 2.77Å; T79-V234 HydrophobicContact CG2-CG1 4.1Å; T79-K360 PolarHBondContact OG1-NZ 3.42Å
80	W	89.1	Confident	91.3	Very high	38 Å²	38	32.3 Å²	32.3	14%	0.144	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.4	-168.7	-62.3	-80.9	0	0	0	113.5	I112 Y233 F239 W420	W80-I112 VanDerWaalsContact CH2-O 3.26Å; W80-I112 WeakPolarHBondContact CH2-O 3.34Å; W80-I112 VanDerWaalsContact CZ2-C 3.46Å; W80-I112 WeakPolarHBondContact CZ2-O 3.45Å; W80-Y233 CarbonylContact C-O 3.46Å; W80-Y233 WeakPolarHBondContact CA-O 3.45Å; W80-F239 WeakPolarHBondContact O-CE2 3.3Å; W80-W420 AromaticContact CH2-CH2 3.97Å; W80-W420 HydrophobicContact CH2-CH2 3.97Å; W80-W420 AromaticContact CH2-CZ2 3.51Å; W80-W420 HydrophobicContact CH2-CZ2 3.51Å; W80-W420 AromaticContact CZ3-CH2 3.68Å; W80-W420 HydrophobicContact CZ3-CH2 3.68Å; W80-W420 AromaticContact CZ3-CZ2 3.74Å; W80-W420 HydrophobicContact CZ3-CZ2 3.74Å
81	I	90.9	Very high	91.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	106.9	160.1	-55.2	177.4	0	0	0	106.5	G83 V89 A93 L99 H232 Y233 I235 F239	I81-G83 PolarHBondContact O-N 2.78Å; I81-V89 HydrophobicContact CD1-CG1 4.15Å; I81-V89 HydrophobicContact CG1-CG1 4.02Å; I81-V89 HydrophobicContact CG2-CB 4.47Å; I81-A93 HydrophobicContact CD1-CB 3.78Å; I81-L99 HydrophobicContact CD1-CD2 3.85Å; I81-H232 VanDerWaalsContact O-CA 3.24Å; I81-H232 WeakPolarHBondContact O-CA 3.35Å; I81-Y233 PolarHBondContact N-O 2.97Å; I81-Y233 PolarHBondContact O-N 2.95Å; I81-I235 HydrophobicContact CD1-CD1 4.11Å; I81-I235 HydrophobicContact CD1-CG1 4.11Å; I81-F239 HydrophobicContact CG1-CE2 3.79Å; I81-F239 HydrophobicContact CG1-CZ 3.81Å
82	H	87.7	Confident	92.3	Very high	52 Å²	52	25 Å²	25	24%	0.241	15%	0.149	C	C	.	.			trans	-80.8	101.6	-177.8	-59	-74.9	0	0	0	111.1	N87 H232	H82-N87 PolarHBondContact O-ND2 3.03Å; H82-H232 WeakPolarHBondContact CA-ND1 3.3Å
83	G	85.4	Confident	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.			trans	85.3	140.7	173.8	0	0	0	0	0	112.3	I81 N87 I228 A231 H232	I81-G83 PolarHBondContact O-N 2.78Å; G83-N87 WeakPolarHBondContact O-CB 3.33Å; G83-N87 PolarHBondContact O-ND2 2.94Å; G83-I228 VanDerWaalsContact CA-O 3.29Å; G83-I228 WeakPolarHBondContact CA-O 3.2Å; G83-A231 CarbonylContact C-O 3.52Å; G83-A231 WeakPolarHBondContact CA-O 3.46Å; G83-H232 PolarHBondContact N-ND1 2.81Å; G83-H232 VanDerWaalsContact N-ND1 3.14Å
84	A	85.9	Confident	92.7	Very high	10 Å²	10	28.9 Å²	28.9	8%	0.083	17%	0.167	C	C	.	.	S	Bend	trans	-95.7	-23.7	-179.4	0	0	0	0	0	113.2	G86 Y90 P229 A231 Y233	A84-G86 PolarHBondContact O-N 2.61Å; A84-Y90 HydrophobicContact CB-CD1 4.02Å; A84-Y90 HydrophobicContact CB-CD2 3.73Å; A84-Y90 HydrophobicContact CB-CE1 3.95Å; A84-Y90 HydrophobicContact CB-CE2 3.6Å; A84-Y90 HydrophobicContact CB-CG 3.94Å; A84-Y90 WeakPolarHBondContact O-CD1 3.24Å; A84-P229 PolarHBondContact N-O 2.84Å; A84-A231 PolarHBondContact N-O 2.96Å; A84-Y233 HydrophobicContact CB-CE2 3.93Å
85	N	88.3	Confident	92.8	Very high	108 Å²	108	36 Å²	36	58%	0.578	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	90.6	-166.8	-62.9	-0.2	0	0	0	110.7	I228 P229	N85-I228 WeakPolarHBondContact O-CG2 3.39Å; N85-P229 HydrophobicContact CB-CB 4.25Å; N85-P229 VanDerWaalsContact CB-O 3.24Å; N85-P229 WeakPolarHBondContact CB-O 3.25Å; N85-P229 PolarHBondContact N-O 2.62Å
86	G	89.6	Confident	92.8	Very high	55 Å²	55	38.8 Å²	38.8	57%	0.567	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	13.8	179.1	0	0	0	0	0	114	A84 P88	A84-G86 PolarHBondContact O-N 2.61Å; G86-P88 WeakPolarHBondContact O-CD 3.45Å
87	N	94.8	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.			trans	-78.3	118.1	173.3	-175.4	-31.4	0	0	0	109.6	H82 G83 V89 Y90 H91 I228	H82-N87 PolarHBondContact O-ND2 3.03Å; G83-N87 WeakPolarHBondContact O-CB 3.33Å; G83-N87 PolarHBondContact O-ND2 2.94Å; N87-V89 PolarHBondContact O-N 3Å; N87-V89 WeakPolarHBondContact OD1-CB 3.33Å; N87-V89 PolarHBondContact OD1-N 3.25Å; N87-Y90 WeakPolarHBondContact O-CB 3.07Å; N87-Y90 PolarHBondContact O-N 3.44Å; N87-Y90 VanDerWaalsContact O-N 3.14Å; N87-Y90 PolarHBondContact OD1-N 2.89Å; N87-H91 PolarHBondContact O-CD2 3.11Å; N87-H91 VanDerWaalsContact O-CD2 3.23Å; N87-H91 PolarHBondContact O-N 3.21Å; N87-H91 VanDerWaalsContact O-N 3.09Å; N87-I228 HydrophobicContact CB-CD1 3.92Å; N87-I228 HydrophobicContact CB-CG2 4.15Å
88	P	96.1	Very high	92.7	Very high	33 Å²	33	41.3 Å²	41.3	21%	0.214	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-27.2	-177.3	26.8	-35.5	0	0	0	113.3	G86 L92 H523 L526 L527	G86-P88 WeakPolarHBondContact O-CD 3.45Å; P88-L92 WeakPolarHBondContact O-CB 3.26Å; P88-L92 PolarHBondContact O-N 3.16Å; P88-L92 VanDerWaalsContact O-N 3.11Å; P88-H523 HydrophobicContact CG-CB 4.09Å; P88-L526 HydrophobicContact CB-CD2 3.97Å; P88-L526 HydrophobicContact CG-CD2 3.97Å; P88-L527 HydrophobicContact CG-CD1 4.37Å; P88-L527 HydrophobicContact CG-CD2 4.09Å; P88-L527 HydrophobicContact CG-CG 4.07Å
89	V	97	Very high	92.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-74.6	-37.3	176	-179	0	0	0	0	110.5	I81 N87 L92 A93 F239 I242 H523 L526	I81-V89 HydrophobicContact CD1-CG1 4.15Å; I81-V89 HydrophobicContact CG1-CG1 4.02Å; I81-V89 HydrophobicContact CG2-CB 4.47Å; N87-V89 PolarHBondContact O-N 3Å; N87-V89 WeakPolarHBondContact OD1-CB 3.33Å; N87-V89 PolarHBondContact OD1-N 3.25Å; V89-L92 PolarHBondContact O-N 3.4Å; V89-A93 WeakPolarHBondContact O-CB 3.3Å; V89-A93 PolarHBondContact O-N 2.79Å; V89-F239 HydrophobicContact CG1-CE1 4Å; V89-F239 HydrophobicContact CG1-CZ 3.9Å; V89-I242 HydrophobicContact CG1-CD1 4.2Å; V89-I242 HydrophobicContact CG1-CG1 4.1Å; V89-I242 HydrophobicContact CG1-CG2 4.16Å; V89-H523 HydrophobicContact CG2-CB 3.87Å; V89-L526 HydrophobicContact CG2-CD1 4.03Å
90	Y	95.1	Very high	91.6	Very high	22 Å²	22	43.8 Å²	43.8	9%	0.086	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-52.6	172.3	174.1	-94.4	0	0	0	111	A84 N87 L92 A93 E94 L99 Y233	A84-Y90 HydrophobicContact CB-CD1 4.02Å; A84-Y90 HydrophobicContact CB-CD2 3.73Å; A84-Y90 HydrophobicContact CB-CE1 3.95Å; A84-Y90 HydrophobicContact CB-CE2 3.6Å; A84-Y90 HydrophobicContact CB-CG 3.94Å; A84-Y90 WeakPolarHBondContact O-CD1 3.24Å; N87-Y90 WeakPolarHBondContact O-CB 3.07Å; N87-Y90 PolarHBondContact O-N 3.44Å; N87-Y90 VanDerWaalsContact O-N 3.14Å; N87-Y90 PolarHBondContact OD1-N 2.89Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 2.75Å; Y90-A93 WeakPolarHBondContact O-CB 3.22Å; Y90-A93 PolarHBondContact O-N 2.87Å; Y90-E94 HydrophobicContact CE1-CB 4.18Å; Y90-E94 VanDerWaalsContact CE1-CD 3.49Å; Y90-E94 HydrophobicContact CE1-CG 4.42Å; Y90-E94 WeakPolarHBondContact CE1-OE2 3.48Å; Y90-E94 WeakPolarHBondContact O-CB 3.28Å; Y90-E94 PolarHBondContact O-N 2.92Å; Y90-E94 VanDerWaalsContact OH-CD 3.31Å; Y90-E94 PolarHBondContact OH-OE1 3.35Å; Y90-L99 HydrophobicContact CD2-CD1 3.59Å; Y90-L99 HydrophobicContact CE2-CD1 3.28Å; Y90-L99 HydrophobicContact CG-CD1 4.45Å; Y90-Y233 AromaticContact CD2-CD2 3.72Å; Y90-Y233 HydrophobicContact CD2-CD2 3.72Å; Y90-Y233 AromaticContact CD2-CE2 3.95Å; Y90-Y233 HydrophobicContact CD2-CE2 3.95Å; Y90-Y233 HydrophobicContact CD2-CG 4.32Å; Y90-Y233 AromaticContact CE2-CD2 3.62Å; Y90-Y233 HydrophobicContact CE2-CD2 3.62Å; Y90-Y233 HydrophobicContact CE2-CE1 4.34Å; Y90-Y233 AromaticContact CE2-CE2 3.43Å; Y90-Y233 HydrophobicContact CE2-CE2 3.43Å; Y90-Y233 VanDerWaalsContact CE2-CE2 3.43Å; Y90-Y233 HydrophobicContact CE2-CG 4.19Å; Y90-Y233 AromaticContact CE2-CZ 3.8Å
91	H	95.4	Very high	90.3	Very high	69 Å²	69	49.7 Å²	49.7	32%	0.319	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-41.3	-179.3	-67.8	-51.8	0	0	0	111.8	N87 A93 E94 E95	N87-H91 PolarHBondContact O-CD2 3.11Å; N87-H91 VanDerWaalsContact O-CD2 3.23Å; N87-H91 PolarHBondContact O-N 3.21Å; N87-H91 VanDerWaalsContact O-N 3.09Å; H91-A93 VanDerWaalsContact C-N 3.3Å; H91-A93 PolarHBondContact O-N 2.89Å; H91-E94 IonicContact ND1-OE2 3.77Å; H91-E94 PolarHBondContact O-N 3.43Å; H91-E95 VanDerWaalsContact O-CB 3.27Å; H91-E95 WeakPolarHBondContact O-CB 3.11Å; H91-E95 WeakPolarHBondContact O-CG 3.27Å; H91-E95 PolarHBondContact O-N 2.89Å
92	L	95.5	Very high	88.5	Confident	29 Å²	29	53 Å²	53	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-39.6	175.1	-175.6	60.7	0	0	0	112.2	P88 V89 Y90 N96 I242 L245 L246	P88-L92 WeakPolarHBondContact O-CB 3.26Å; P88-L92 PolarHBondContact O-N 3.16Å; P88-L92 VanDerWaalsContact O-N 3.11Å; V89-L92 PolarHBondContact O-N 3.4Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 2.75Å; L92-N96 PolarHBondContact O-ND2 3.44Å; L92-I242 HydrophobicContact CD2-CD1 4.36Å; L92-I242 HydrophobicContact CD2-CG2 4.07Å; L92-I242 HydrophobicContact CG-CD1 4.3Å; L92-L245 HydrophobicContact CD1-CB 4.21Å; L92-L245 HydrophobicContact CD1-CD1 4.1Å; L92-L245 HydrophobicContact CD2-CB 4.27Å; L92-L245 HydrophobicContact CG-CB 4.35Å; L92-L245 HydrophobicContact CG-CD1 3.95Å; L92-L246 HydrophobicContact CD2-CD2 4.06Å; L92-L246 HydrophobicContact CD2-CG 4.18Å
93	A	95.6	Very high	86.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69	-46.4	176.6	0	0	0	0	0	112.3	I81 V89 Y90 H91 N96 G97 L98 L99 I235 I242	I81-A93 HydrophobicContact CD1-CB 3.78Å; V89-A93 WeakPolarHBondContact O-CB 3.3Å; V89-A93 PolarHBondContact O-N 2.79Å; Y90-A93 WeakPolarHBondContact O-CB 3.22Å; Y90-A93 PolarHBondContact O-N 2.87Å; H91-A93 VanDerWaalsContact C-N 3.3Å; H91-A93 PolarHBondContact O-N 2.89Å; A93-N96 CarbonylContact O-C 3.57Å; A93-N96 PolarHBondContact O-N 3.38Å; A93-G97 PolarHBondContact O-N 2.93Å; A93-L98 HydrophobicContact CB-CB 4.2Å; A93-L98 WeakPolarHBondContact O-CB 3.26Å; A93-L98 PolarHBondContact O-N 2.77Å; A93-L99 HydrophobicContact CB-CD1 4.22Å; A93-L99 HydrophobicContact CB-CD2 3.47Å; A93-L99 VanDerWaalsContact CB-CD2 3.47Å; A93-L99 HydrophobicContact CB-CG 3.73Å; A93-I235 HydrophobicContact CB-CD1 4.31Å; A93-I242 HydrophobicContact CB-CD1 3.98Å
94	E	94.3	Very high	84.5	Confident	89 Å²	89	61.6 Å²	61.6	42%	0.416	35%	0.346	S	S	.	.	H	α-helix	trans	-63.6	-48.1	-178.7	-175.6	176.7	-127.4	0	0	111.8	Y90 H91 N96 G97 L99	Y90-E94 HydrophobicContact CE1-CB 4.18Å; Y90-E94 VanDerWaalsContact CE1-CD 3.49Å; Y90-E94 HydrophobicContact CE1-CG 4.42Å; Y90-E94 WeakPolarHBondContact CE1-OE2 3.48Å; Y90-E94 WeakPolarHBondContact O-CB 3.28Å; Y90-E94 PolarHBondContact O-N 2.92Å; Y90-E94 VanDerWaalsContact OH-CD 3.31Å; Y90-E94 PolarHBondContact OH-OE1 3.35Å; H91-E94 IonicContact ND1-OE2 3.77Å; H91-E94 PolarHBondContact O-N 3.43Å; E94-N96 PolarHBondContact O-N 2.91Å; E94-N96 VanDerWaalsContact O-N 3.1Å; E94-G97 PolarHBondContact O-N 3.21Å; E94-L99 HydrophobicContact CB-CD1 3.86Å
95	E	95.6	Very high	82.5	Confident	152 Å²	152	63.2 Å²	63.2	71%	0.71	36%	0.363	S	S	*	.	H	α-helix	trans	-60.7	-22.6	179.2	-73.3	173.1	-177.1	0	0	113	H91	H91-E95 VanDerWaalsContact O-CB 3.27Å; H91-E95 WeakPolarHBondContact O-CB 3.11Å; H91-E95 WeakPolarHBondContact O-CG 3.27Å; H91-E95 PolarHBondContact O-N 2.89Å
96	N	96.2	Very high	80.6	Confident	73 Å²	73	61.1 Å²	61.1	39%	0.39	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	10.2	179.4	-68	-85.5	0	0	0	113	L92 A93 E94 L98 L245	L92-N96 PolarHBondContact O-ND2 3.44Å; A93-N96 CarbonylContact O-C 3.57Å; A93-N96 PolarHBondContact O-N 3.38Å; E94-N96 PolarHBondContact O-N 2.91Å; E94-N96 VanDerWaalsContact O-N 3.1Å; N96-L98 VanDerWaalsContact C-N 3.27Å; N96-L98 HydrophobicContact CB-CD1 4.41Å; N96-L98 HydrophobicContact CB-CG 4.12Å; N96-L98 PolarHBondContact O-N 2.79Å; N96-L245 HydrophobicContact CB-CD1 3.77Å; N96-L245 HydrophobicContact CB-CD2 4.23Å; N96-L245 WeakPolarHBondContact OD1-CD2 3.47Å
97	G	94.5	Very high	78.6	Confident	63 Å²	63	65.8 Å²	65.8	65%	0.649	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	27.4	175.8	0	0	0	0	0	114.4	A93 E94	A93-G97 PolarHBondContact O-N 2.93Å; E94-G97 PolarHBondContact O-N 3.21Å
98	L	93.3	Very high	76.2	Confident	20 Å²	20	67.8 Å²	67.8	11%	0.105	37%	0.365	C	S	.	.			trans	-86.8	-8.2	-176.4	-62.3	-177.9	0	0	0	113.9	A93 N96 I235 P236 K241 I242 L245	A93-L98 HydrophobicContact CB-CB 4.2Å; A93-L98 WeakPolarHBondContact O-CB 3.26Å; A93-L98 PolarHBondContact O-N 2.77Å; N96-L98 VanDerWaalsContact C-N 3.27Å; N96-L98 HydrophobicContact CB-CD1 4.41Å; N96-L98 HydrophobicContact CB-CG 4.12Å; N96-L98 PolarHBondContact O-N 2.79Å; L98-I235 HydrophobicContact CB-CG2 4.09Å; L98-P236 WeakPolarHBondContact O-CD 3.15Å; L98-K241 HydrophobicContact CD1-CB 3.62Å; L98-K241 HydrophobicContact CD2-CB 4.18Å; L98-K241 HydrophobicContact CD2-CG 4.3Å; L98-I242 HydrophobicContact CD1-CD1 4.2Å; L98-L245 HydrophobicContact CD1-CD1 3.58Å
99	L	87.8	Confident	73.7	Confident	25 Å²	25	69.8 Å²	69.8	13%	0.131	38%	0.376	C	S	.	.			trans	-95.4	134.8	-176.2	-58.1	-176.9	0	0	0	110.6	I81 Y90 A93 E94 Y233 I235	I81-L99 HydrophobicContact CD1-CD2 3.85Å; Y90-L99 HydrophobicContact CD2-CD1 3.59Å; Y90-L99 HydrophobicContact CE2-CD1 3.28Å; Y90-L99 HydrophobicContact CG-CD1 4.45Å; A93-L99 HydrophobicContact CB-CD1 4.22Å; A93-L99 HydrophobicContact CB-CD2 3.47Å; A93-L99 VanDerWaalsContact CB-CD2 3.47Å; A93-L99 HydrophobicContact CB-CG 3.73Å; E94-L99 HydrophobicContact CB-CD1 3.86Å; L99-Y233 HydrophobicContact CB-CD1 4.48Å; L99-Y233 HydrophobicContact CD1-CD1 4.33Å; L99-Y233 HydrophobicContact CD1-CG 4.45Å; L99-Y233 HydrophobicContact CD2-CD1 4.49Å; L99-Y233 HydrophobicContact CD2-CG 4.42Å; L99-I235 HydrophobicContact CD2-CG1 4.39Å
100	E	75.5	Confident	71.1	Confident	81 Å²	81	71.7 Å²	71.7	38%	0.379	40%	0.395	S	S	.	.			trans	-83.2	130.1	163.8	-92.6	169.9	-170.3	0	0	109.9	T102 P236 R412	E100-T102 PolarHBondContact O-N 2.8Å; E100-P236 HydrophobicContact CB-CG 3.94Å; E100-P236 HydrophobicContact CG-CG 3.56Å; E100-P236 WeakPolarHBondContact OE1-CG 3.41Å; E100-P236 VanDerWaalsContact OE2-CG 3.26Å; E100-P236 WeakPolarHBondContact OE2-CG 3.41Å; E100-R412 IonicContact OE1-CZ 3.36Å; E100-R412 IonicContact OE1-NH1 3.31Å; E100-R412 IonicContact OE1-NH2 2.7Å; E100-R412 PolarHBondContact OE1-NH2 3.39Å; E100-R412 IonicContact OE2-CZ 2.9Å; E100-R412 VanDerWaalsContact OE2-CZ 3.25Å; E100-R412 IonicContact OE2-NH1 2.77Å; E100-R412 PolarHBondContact OE2-NH1 2.94Å; E100-R412 IonicContact OE2-NH2 2.73Å; E100-R412 PolarHBondContact OE2-NH2 2.94Å
101	H	61.2	Low	68.9	Low	163 Å²	163	76.2 Å²	76.2	76%	0.755	41%	0.412	S	S	*	.			trans	-69.1	114.3	164.8	-64.3	-64.7	0	0	0	107.7	T103	H101-T103 PolarHBondContact O-N 3.19Å; H101-T103 VanDerWaalsContact O-N 3.15Å
102	T	53.8	Low	66.6	Low	68 Å²	68	73.5 Å²	73.5	42%	0.417	40%	0.4	S	S	.	.			trans	-53.9	122.8	171.8	50.1	0	0	0	0	108.7	E100	E100-T102 PolarHBondContact O-N 2.8Å
103	T	48.1	Very low	64.3	Low	80 Å²	80	72.7 Å²	72.7	49%	0.491	40%	0.397	S	S	.	.			trans	-69.9	161.9	176.8	61.4	0	0	0	0	110.3	H101 G105 E106	H101-T103 PolarHBondContact O-N 3.19Å; H101-T103 VanDerWaalsContact O-N 3.15Å; T103-G105 PolarHBondContact O-N 2.8Å; T103-E106 PolarHBondContact N-OE2 3.39Å; T103-E106 PolarHBondContact O-N 3.1Å; T103-E106 PolarHBondContact OG1-OE2 3.01Å; T103-E106 VanDerWaalsContact OG1-OE2 3.07Å
104	D	41.9	Very low	62.3	Low	154 Å²	154	74.7 Å²	74.7	82%	0.824	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-12.8	174.6	-81.5	-24.8	0	0	0	113.8	K117	D104-K117 WeakPolarHBondContact O-CD 3.31Å; D104-K117 WeakPolarHBondContact O-CE 3.45Å; D104-K117 PolarHBondContact O-NZ 2.92Å
105	G	42.5	Very low	60.6	Low	43 Å²	43	72.6 Å²	72.6	44%	0.443	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.6	177.8	0	0	0	0	0	115.6	T103 K117	T103-G105 PolarHBondContact O-N 2.8Å; G105-K117 WeakPolarHBondContact O-CB 3.47Å; G105-K117 PolarHBondContact O-N 3.32Å
106	E	49.4	Very low	58.5	Low	64 Å²	64	67.1 Å²	67.1	30%	0.299	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.6	-179.2	-67.9	161.7	146.8	0	0	109.1	T103	T103-E106 PolarHBondContact N-OE2 3.39Å; T103-E106 PolarHBondContact O-N 3.1Å; T103-E106 PolarHBondContact OG1-OE2 3.01Å; T103-E106 VanDerWaalsContact OG1-OE2 3.07Å
107	R	46.8	Very low	56.5	Low	153 Å²	153	68.3 Å²	68.3	58%	0.577	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.2	168.2	-75	-177	173.5	174.2	-1.9	107.9	V109 Y115	R107-V109 HydrophobicContact CB-CG2 3.46Å; R107-V109 VanDerWaalsContact CB-CG2 3.46Å; R107-V109 HydrophobicContact CG-CG2 4.47Å; R107-V109 PolarHBondContact O-N 3.06Å; R107-Y115 PolarHBondContact N-O 2.98Å
108	S	45.7	Very low	55.1	Low	43 Å²	43	71.9 Å²	71.9	30%	0.301	38%	0.379	S	S	.	.			trans	-70.1	82.6	154.3	176.6	0	0	0	0	107.1	H232	S108-H232 PolarHBondContact OG-O 3Å
109	V	41.8	Very low	54.2	Low	75 Å²	75	72 Å²	72	46%	0.455	39%	0.385	S	S	.	.			trans	-84	116.5	169.5	-161.8	0	0	0	0	105.7	R107 R111 Y115	R107-V109 HydrophobicContact CB-CG2 3.46Å; R107-V109 VanDerWaalsContact CB-CG2 3.46Å; R107-V109 HydrophobicContact CG-CG2 4.47Å; R107-V109 PolarHBondContact O-N 3.06Å; V109-R111 PolarHBondContact O-N 2.8Å; V109-R111 VanDerWaalsContact O-N 3.17Å; V109-Y115 HydrophobicContact CB-CD2 3.76Å; V109-Y115 HydrophobicContact CB-CE2 4.27Å; V109-Y115 HydrophobicContact CG2-CD2 4.23Å; V109-Y115 WeakPolarHBondContact O-CD2 3.4Å; V109-Y115 VanDerWaalsContact O-CE2 3.32Å; V109-Y115 WeakPolarHBondContact O-CE2 3.39Å
110	G	42.5	Very low	54	Low	39 Å²	39	72.5 Å²	72.5	40%	0.402	39%	0.389	S	S	.	.	S	Bend	trans	-48.2	122.4	-175.7	0	0	0	0	0	111.7
111	R	50.2	Low	54.7	Low	118 Å²	118	70.6 Å²	70.6	45%	0.445	39%	0.387	S	S	.	.	S	Bend		166.6	-39.1	121.1	-87	170.8	158.9	173.9	-12	110.5	V109	V109-R111 PolarHBondContact O-N 2.8Å; V109-R111 VanDerWaalsContact O-N 3.17Å
112	I	45.9	Very low	56.3	Low	12 Å²	12	63.8 Å²	63.8	6%	0.062	36%	0.355	C	S	.	.	S	Bend	trans	-141.3	-9.6	-172	-50	-171.9	0	0	0	115.7	W80 V204 E208 D405 W420	W80-I112 VanDerWaalsContact CH2-O 3.26Å; W80-I112 WeakPolarHBondContact CH2-O 3.34Å; W80-I112 VanDerWaalsContact CZ2-C 3.46Å; W80-I112 WeakPolarHBondContact CZ2-O 3.45Å; I112-V204 HydrophobicContact CD1-CG1 3.48Å; I112-V204 VanDerWaalsContact CD1-CG1 3.48Å; I112-E208 HydrophobicContact CD1-CG 4.3Å; I112-E208 WeakPolarHBondContact CD1-OE1 3.39Å; I112-E208 WeakPolarHBondContact CG1-OE1 3.49Å; I112-D405 VanDerWaalsContact CG2-OD2 3.24Å; I112-D405 WeakPolarHBondContact CG2-OD2 3.46Å; I112-W420 HydrophobicContact CG2-CZ2 4.39Å; I112-W420 VanDerWaalsContact CG2-NE1 3.31Å
113	S	48.3	Very low	58.4	Low	11 Å²	11	61.9 Å²	61.9	8%	0.077	34%	0.34	C	S	.	.	S	Bend	trans	-159.7	159.7	-179.9	-84.9	0	0	0	0	114.3	Y115 D405	S113-Y115 VanDerWaalsContact O-CD2 3.28Å; S113-Y115 WeakPolarHBondContact O-CD2 3.45Å; S113-Y115 WeakPolarHBondContact O-CE2 3.44Å; S113-Y115 PolarHBondContact O-N 2.98Å; S113-D405 WeakPolarHBondContact OG-CB 3.38Å
114	L	52.9	Low	60.7	Low	43 Å²	43	58.9 Å²	58.9	23%	0.225	32%	0.321	C	S	.	.			trans	-71.8	114.7	162.2	-70.7	176.7	0	0	0	107.9	V234	L114-V234 HydrophobicContact CD1-CG2 3.68Å; L114-V234 HydrophobicContact CD2-CG2 4.35Å; L114-V234 HydrophobicContact CG-CG1 4.43Å; L114-V234 HydrophobicContact CG-CG2 4.27Å
115	Y	59.3	Low	63.3	Low	44 Å²	44	51.8 Å²	51.8	17%	0.173	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.7	-176.8	-66	-60.8	0	0	0	111.3	R107 V109 S113 N375	R107-Y115 PolarHBondContact N-O 2.98Å; V109-Y115 HydrophobicContact CB-CD2 3.76Å; V109-Y115 HydrophobicContact CB-CE2 4.27Å; V109-Y115 HydrophobicContact CG2-CD2 4.23Å; V109-Y115 WeakPolarHBondContact O-CD2 3.4Å; V109-Y115 VanDerWaalsContact O-CE2 3.32Å; V109-Y115 WeakPolarHBondContact O-CE2 3.39Å; S113-Y115 VanDerWaalsContact O-CD2 3.28Å; S113-Y115 WeakPolarHBondContact O-CD2 3.45Å; S113-Y115 WeakPolarHBondContact O-CE2 3.44Å; S113-Y115 PolarHBondContact O-N 2.98Å; Y115-N375 WeakPolarHBondContact CB-ND2 3.41Å; Y115-N375 HydrophobicContact CD1-CB 3.65Å; Y115-N375 WeakPolarHBondContact CD1-ND2 3.42Å; Y115-N375 HydrophobicContact CE1-CB 4.1Å
116	T	52.1	Low	65.9	Low	37 Å²	37	50.5 Å²	50.5	23%	0.227	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	142.3	163.3	67.2	0	0	0	0	109.2	N118 G119 N375 Y408	T116-N118 PolarHBondContact O-N 3.43Å; T116-G119 PolarHBondContact O-N 2.82Å; T116-G119 WeakPolarHBondContact OG1-CA 3.28Å; T116-G119 PolarHBondContact OG1-N 2.93Å; T116-G119 VanDerWaalsContact OG1-N 3.11Å; T116-N375 PolarHBondContact N-OD1 3.09Å; T116-N375 PolarHBondContact OG1-OD1 3.29Å; T116-Y408 HydrophobicContact CG2-CD1 3.25Å; T116-Y408 HydrophobicContact CG2-CD2 3.72Å; T116-Y408 HydrophobicContact CG2-CE1 3.28Å; T116-Y408 HydrophobicContact CG2-CE2 3.68Å; T116-Y408 HydrophobicContact CG2-CG 3.51Å
117	K	54.3	Low	68.1	Low	98 Å²	98	51.8 Å²	51.8	43%	0.426	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.2	-175.7	174.8	177	-174.4	174.8	0	115.1	D104 G105	D104-K117 WeakPolarHBondContact O-CD 3.31Å; D104-K117 WeakPolarHBondContact O-CE 3.45Å; D104-K117 PolarHBondContact O-NZ 2.92Å; G105-K117 WeakPolarHBondContact O-CB 3.47Å; G105-K117 PolarHBondContact O-N 3.32Å
118	N	64.7	Low	70.5	Confident	139 Å²	139	45.7 Å²	45.7	74%	0.743	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	8.5	179.3	-65.2	-27.9	0	0	0	113.2	T116	T116-N118 PolarHBondContact O-N 3.43Å
119	G	73.6	Confident	72.8	Confident	22 Å²	22	50.4 Å²	50.4	23%	0.227	28%	0.278	C	S	.	.			trans	-75.3	159	-173	0	0	0	0	0	113.1	T116 E373 N375	T116-G119 PolarHBondContact O-N 2.82Å; T116-G119 WeakPolarHBondContact OG1-CA 3.28Å; T116-G119 PolarHBondContact OG1-N 2.93Å; T116-G119 VanDerWaalsContact OG1-N 3.11Å; G119-E373 CarbonylContact C-O 3.4Å; G119-E373 WeakPolarHBondContact CA-O 3.02Å; G119-N375 VanDerWaalsContact CA-CG 3.45Å; G119-N375 WeakPolarHBondContact CA-ND2 3.26Å; G119-N375 PolarHBondContact O-ND2 2.93Å
120	V	84.4	Confident	75.4	Confident	36 Å²	36	53.2 Å²	53.2	22%	0.218	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.8	-168.2	-172.6	0	0	0	0	108.8	H122 E373 N375	V120-H122 PolarHBondContact O-CD2 2.87Å; V120-E373 PolarHBondContact N-O 3.43Å; V120-N375 PolarHBondContact O-N 3.36Å
121	A	90.1	Very high	78	Confident	40 Å²	40	51.6 Å²	51.6	33%	0.331	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	124.3	167.7	0	0	0	0	0	109.6	Y123 S376 Q378	A121-Y123 HydrophobicContact CB-CD2 4.21Å; A121-Y123 HydrophobicContact CB-CE2 3.82Å; A121-Y123 PolarHBondContact O-N 2.89Å; A121-S376 WeakPolarHBondContact CB-OG 3.48Å; A121-Q378 HydrophobicContact CB-CG 4.29Å
122	H	94.6	Very high	80.2	Confident	20 Å²	20	49.9 Å²	49.9	9%	0.093	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	88.9	-179.8	-68.6	-178.6	0	0	0	110	V120 Q124 R130 C374 S376 Q378	V120-H122 PolarHBondContact O-CD2 2.87Å; H122-Q124 PolarHBondContact O-N 2.77Å; H122-Q124 PolarHBondContact O-NE2 3.05Å; H122-R130 VanDerWaalsContact CD2-CZ 3.41Å; H122-R130 PolarHBondContact CD2-NH2 3.13Å; H122-R130 PolarHBondContact NE2-NH1 3.5Å; H122-R130 PolarHBondContact NE2-NH2 2.81Å; H122-C374 PolarHBondContact ND1-SG 3.24Å; H122-C374 VanDerWaalsContact ND1-SG 3.42Å; H122-S376 WeakPolarHBondContact CB-O 3.38Å; H122-S376 PolarHBondContact N-O 2.95Å; H122-Q378 PolarHBondContact O-N 2.94Å
123	Y	96.6	Very high	82.4	Confident	28 Å²	28	54.7 Å²	54.7	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.7	169.9	-72.9	-99.2	0	0	0	110.6	A121 R130 I131 V136 Y201 Q378 V380	A121-Y123 HydrophobicContact CB-CD2 4.21Å; A121-Y123 HydrophobicContact CB-CE2 3.82Å; A121-Y123 PolarHBondContact O-N 2.89Å; Y123-R130 WeakPolarHBondContact O-CA 3.3Å; Y123-I131 PolarHBondContact O-N 3.36Å; Y123-V136 HydrophobicContact CD2-CB 4.32Å; Y123-V136 HydrophobicContact CD2-CG1 3.48Å; Y123-V136 VanDerWaalsContact CD2-CG1 3.48Å; Y123-V136 HydrophobicContact CD2-CG2 3.87Å; Y123-V136 HydrophobicContact CE2-CG1 3.42Å; Y123-V136 VanDerWaalsContact CE2-CG1 3.42Å; Y123-V136 HydrophobicContact CG-CG1 4.06Å; Y123-V136 HydrophobicContact CG-CG2 3.85Å; Y123-Y201 HydrophobicContact CE1-CD2 4.48Å; Y123-Y201 AromaticContact CE1-CE2 3.74Å; Y123-Y201 HydrophobicContact CE1-CE2 3.74Å; Y123-Y201 AromaticContact CZ-CE2 3.96Å; Y123-Y201 PolarHBondContact OH-OH 2.83Å; Y123-Q378 HydrophobicContact CD1-CB 3.58Å; Y123-Q378 HydrophobicContact CD1-CG 4.13Å; Y123-Q378 HydrophobicContact CD2-CB 4.22Å; Y123-Q378 HydrophobicContact CD2-CG 4.05Å; Y123-Q378 HydrophobicContact CE1-CB 3.73Å; Y123-Q378 HydrophobicContact CE1-CG 3.92Å; Y123-Q378 HydrophobicContact CE2-CB 4.36Å; Y123-Q378 HydrophobicContact CE2-CG 3.85Å; Y123-Q378 HydrophobicContact CG-CB 3.84Å; Y123-Q378 HydrophobicContact CG-CG 4.19Å; Y123-V380 HydrophobicContact CD1-CG2 3.89Å
124	Q	96.8	Very high	84.6	Confident	18 Å²	18	60 Å²	60	8%	0.084	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.2	-173.4	-75.7	159.9	108.1	0	0	110.3	H122 K129 I377 Q378 V380 F448 T449	H122-Q124 PolarHBondContact O-N 2.77Å; H122-Q124 PolarHBondContact O-NE2 3.05Å; Q124-K129 CarbonylContact C-O 3.49Å; Q124-K129 VanDerWaalsContact CA-O 3.3Å; Q124-K129 WeakPolarHBondContact CA-O 3.24Å; Q124-I377 VanDerWaalsContact NE2-CG2 3.34Å; Q124-Q378 PolarHBondContact N-O 3.46Å; Q124-V380 WeakPolarHBondContact O-CB 3.02Å; Q124-V380 PolarHBondContact O-N 3.35Å; Q124-F448 HydrophobicContact CB-CB 4.33Å; Q124-F448 HydrophobicContact CB-CD1 4.21Å; Q124-F448 VanDerWaalsContact CB-O 3.31Å; Q124-F448 WeakPolarHBondContact CB-O 3.46Å; Q124-F448 VanDerWaalsContact O-CD1 3.23Å; Q124-F448 WeakPolarHBondContact O-CD1 2.94Å; Q124-F448 WeakPolarHBondContact O-CE1 3.29Å; Q124-F448 PolarHBondContact OE1-O 3.17Å; Q124-T449 VanDerWaalsContact OE1-CA 3.27Å
125	T	97.8	Very high	86.7	Confident	5 Å²	5	59 Å²	59	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	160.8	175.2	80	0	0	0	0	112	V127 G128 K129 I131 L193 V380 E382 F448	T125-V127 PolarHBondContact O-N 3.29Å; T125-V127 VanDerWaalsContact OG1-CG2 3.27Å; T125-V127 WeakPolarHBondContact OG1-CG2 3.14Å; T125-G128 PolarHBondContact O-N 3.19Å; T125-K129 PolarHBondContact N-O 3.44Å; T125-I131 HydrophobicContact CG2-CD1 4.14Å; T125-I131 HydrophobicContact CG2-CG1 3.94Å; T125-L193 HydrophobicContact CG2-CD1 3.78Å; T125-V380 VanDerWaalsContact CA-O 3.27Å; T125-V380 WeakPolarHBondContact CA-O 3.21Å; T125-E382 WeakPolarHBondContact CB-OE2 3.41Å; T125-E382 HydrophobicContact CG2-CG 3.96Å; T125-E382 PolarHBondContact OG1-OE2 2.92Å; T125-F448 VanDerWaalsContact C-CD1 3.43Å; T125-F448 VanDerWaalsContact C-CE1 3.45Å; T125-F448 WeakPolarHBondContact O-CD1 3.29Å
126	N	96.4	Very high	88.4	Confident	15 Å²	15	57.8 Å²	57.8	8%	0.08	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	9.3	-179.4	65.9	-47	0	0	0	114.8	V380 W381 E382 D383 R447 F448	N126-V380 PolarHBondContact N-O 3.31Å; N126-W381 HydrophobicContact CB-CD2 4.19Å; N126-W381 HydrophobicContact CB-CE3 3.52Å; N126-W381 HydrophobicContact CB-CZ3 3.74Å; N126-E382 WeakPolarHBondContact OD1-CB 3.45Å; N126-E382 PolarHBondContact OD1-N 2.95Å; N126-D383 PolarHBondContact ND2-OD1 2.99Å; N126-R447 PolarHBondContact ND2-NH2 3.32Å; N126-R447 VanDerWaalsContact ND2-NH2 3.14Å; N126-R447 WeakPolarHBondContact O-CG 3.36Å; N126-R447 PolarHBondContact O-NE 3.04Å; N126-F448 HydrophobicContact CB-CE1 3.86Å; N126-F448 HydrophobicContact CB-CE2 3.94Å; N126-F448 HydrophobicContact CB-CZ 3.46Å; N126-F448 VanDerWaalsContact CB-CZ 3.46Å; N126-F448 VanDerWaalsContact N-CE1 3.3Å
127	V	95.6	Very high	90.4	Very high	91 Å²	91	60.3 Å²	60.3	55%	0.552	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	17.1	170.5	-58.3	0	0	0	0	112.8	T125 K129 E382	T125-V127 PolarHBondContact O-N 3.29Å; T125-V127 VanDerWaalsContact OG1-CG2 3.27Å; T125-V127 WeakPolarHBondContact OG1-CG2 3.14Å; V127-K129 HydrophobicContact CG2-CD 4.13Å; V127-K129 HydrophobicContact CG2-CG 4.15Å; V127-E382 WeakPolarHBondContact CG2-OE2 3.41Å
128	G	96.1	Very high	92.4	Very high	25 Å²	25	59.8 Å²	59.8	26%	0.258	32%	0.315	S	S	.	.	S	Bend	trans	79.8	24.3	174.3	0	0	0	0	0	114.5	T125 R447 F448	T125-G128 PolarHBondContact O-N 3.19Å; G128-R447 WeakPolarHBondContact CA-O 3.46Å; G128-R447 PolarHBondContact N-O 3.18Å; G128-F448 WeakPolarHBondContact CA-O 3.32Å
129	K	95.9	Very high	93.9	Very high	142 Å²	142	53.2 Å²	53.2	62%	0.617	28%	0.279	S	S	*	.			trans	-107.3	129.7	179.7	-69.5	-178.6	-179.5	177.3	0	111.4	Q124 T125 V127	Q124-K129 CarbonylContact C-O 3.49Å; Q124-K129 VanDerWaalsContact CA-O 3.3Å; Q124-K129 WeakPolarHBondContact CA-O 3.24Å; T125-K129 PolarHBondContact N-O 3.44Å; V127-K129 HydrophobicContact CG2-CD 4.13Å; V127-K129 HydrophobicContact CG2-CG 4.15Å
130	R	95.9	Very high	94.9	Very high	134 Å²	134	53.5 Å²	53.5	51%	0.506	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-74.1	131.6	171.7	-171.1	172.4	179	169	2.8	110.6	H122 Y123	H122-R130 VanDerWaalsContact CD2-CZ 3.41Å; H122-R130 PolarHBondContact CD2-NH2 3.13Å; H122-R130 PolarHBondContact NE2-NH1 3.5Å; H122-R130 PolarHBondContact NE2-NH2 2.81Å; Y123-R130 WeakPolarHBondContact O-CA 3.3Å
131	I	96.8	Very high	95.4	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-77.4	132.5	172.8	-55.1	-175.8	0	0	0	108.3	Y123 T125 K133 L135 V136 L193 M197 V380	Y123-I131 PolarHBondContact O-N 3.36Å; T125-I131 HydrophobicContact CG2-CD1 4.14Å; T125-I131 HydrophobicContact CG2-CG1 3.94Å; I131-K133 PolarHBondContact O-N 3.36Å; I131-L135 HydrophobicContact CG2-CB 4.48Å; I131-L135 HydrophobicContact CG2-CD2 4.05Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-V136 HydrophobicContact CB-CG2 4.06Å; I131-V136 HydrophobicContact CG2-CG2 3.69Å; I131-L193 HydrophobicContact CD1-CD1 3.66Å; I131-L193 HydrophobicContact CD1-CD2 4.23Å; I131-L193 HydrophobicContact CD1-CG 4.02Å; I131-L193 HydrophobicContact CG1-CD1 4.22Å; I131-L193 HydrophobicContact CG1-CD2 4.18Å; I131-L193 HydrophobicContact CG2-CD2 3.99Å; I131-M197 HydrophobicContact CD1-CG 4Å; I131-M197 HydrophobicContact CD1-SD 3.98Å; I131-M197 HydrophobicContact CG2-SD 4.19Å; I131-V380 HydrophobicContact CD1-CB 3.97Å; I131-V380 HydrophobicContact CD1-CG1 3.99Å; I131-V380 HydrophobicContact CD1-CG2 3.78Å
132	P	95.8	Very high	95.7	Very high	82 Å²	82	55.9 Å²	55.9	53%	0.532	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-55.5	136.2	176.8	-25.8	34.9	0	0	0	111.8	D134 L135 V136	P132-D134 VanDerWaalsContact C-N 3.32Å; P132-D134 PolarHBondContact O-N 3.04Å; P132-L135 HydrophobicContact CB-CB 4.36Å; P132-L135 PolarHBondContact O-N 2.93Å; P132-L135 VanDerWaalsContact O-N 3.17Å; P132-V136 PolarHBondContact O-N 3.05Å
133	K	92.4	Very high	95.7	Very high	113 Å²	113	55 Å²	55	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-55.9	-46.6	-177.4	-178.7	-176.9	165.1	-172.2	0	111.8	I131 L135 V136 E137	I131-K133 PolarHBondContact O-N 3.36Å; K133-L135 PolarHBondContact O-N 3.05Å; K133-V136 WeakPolarHBondContact O-CA 3.27Å; K133-V136 WeakPolarHBondContact O-CB 3.05Å; K133-V136 PolarHBondContact O-N 2.8Å; K133-E137 WeakPolarHBondContact CE-OE1 3.27Å; K133-E137 HydrophobicContact CG-CG 4.36Å; K133-E137 IonicContact NZ-OE1 3.51Å; K133-E137 PolarHBondContact NZ-OE1 3.29Å; K133-E137 PolarHBondContact O-N 3.24Å
134	D	94.6	Very high	95.5	Very high	122 Å²	122	55.9 Å²	55.9	65%	0.652	29%	0.286	S	S	*	.	H	α-helix	trans	-58.9	-38.1	-178.3	-53.8	-10.1	0	0	0	111.8	P132 E137 E138	P132-D134 VanDerWaalsContact C-N 3.32Å; P132-D134 PolarHBondContact O-N 3.04Å; D134-E137 PolarHBondContact O-N 3.45Å; D134-E138 VanDerWaalsContact O-CB 3.29Å; D134-E138 WeakPolarHBondContact O-CB 3.38Å; D134-E138 PolarHBondContact O-N 3.17Å
135	L	96.5	Very high	95.3	Very high	24 Å²	24	59.9 Å²	59.9	13%	0.126	31%	0.305	C	S	.	.	H	α-helix	trans	-69.9	-35.3	176.7	178.8	61	0	0	0	112.3	I131 P132 K133 F139 T190 L193 K194 M197	I131-L135 HydrophobicContact CG2-CB 4.48Å; I131-L135 HydrophobicContact CG2-CD2 4.05Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; P132-L135 HydrophobicContact CB-CB 4.36Å; P132-L135 PolarHBondContact O-N 2.93Å; P132-L135 VanDerWaalsContact O-N 3.17Å; K133-L135 PolarHBondContact O-N 3.05Å; L135-F139 WeakPolarHBondContact O-CB 3.19Å; L135-F139 PolarHBondContact O-N 2.82Å; L135-T190 HydrophobicContact CD1-CG2 3.58Å; L135-T190 HydrophobicContact CD2-CG2 4.13Å; L135-L193 HydrophobicContact CD2-CD2 3.84Å; L135-K194 HydrophobicContact CD1-CD 4.46Å; L135-K194 VanDerWaalsContact CD1-CE 3.49Å; L135-K194 HydrophobicContact CD1-CG 4.21Å; L135-M197 HydrophobicContact CG-CE 4.24Å
136	V	95.6	Very high	95	Very high	17 Å²	17	59.6 Å²	59.6	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-45.9	174.1	174.6	0	0	0	0	110.3	Y123 I131 P132 K133 F139 S140 M197	Y123-V136 HydrophobicContact CD2-CB 4.32Å; Y123-V136 HydrophobicContact CD2-CG1 3.48Å; Y123-V136 VanDerWaalsContact CD2-CG1 3.48Å; Y123-V136 HydrophobicContact CD2-CG2 3.87Å; Y123-V136 HydrophobicContact CE2-CG1 3.42Å; Y123-V136 VanDerWaalsContact CE2-CG1 3.42Å; Y123-V136 HydrophobicContact CG-CG1 4.06Å; Y123-V136 HydrophobicContact CG-CG2 3.85Å; I131-V136 HydrophobicContact CB-CG2 4.06Å; I131-V136 HydrophobicContact CG2-CG2 3.69Å; P132-V136 PolarHBondContact O-N 3.05Å; K133-V136 WeakPolarHBondContact O-CA 3.27Å; K133-V136 WeakPolarHBondContact O-CB 3.05Å; K133-V136 PolarHBondContact O-N 2.8Å; V136-F139 PolarHBondContact O-N 3.07Å; V136-S140 VanDerWaalsContact O-CB 3.29Å; V136-S140 WeakPolarHBondContact O-CB 3.38Å; V136-S140 PolarHBondContact O-N 2.82Å; V136-M197 HydrophobicContact CG2-SD 4.15Å
137	E	93.4	Very high	94.6	Very high	91 Å²	91	59.9 Å²	59.9	43%	0.425	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-47	179	-71.9	-178.4	156.8	0	0	110.9	K133 D134 F139 S140 D141	K133-E137 WeakPolarHBondContact CE-OE1 3.27Å; K133-E137 HydrophobicContact CG-CG 4.36Å; K133-E137 IonicContact NZ-OE1 3.51Å; K133-E137 PolarHBondContact NZ-OE1 3.29Å; K133-E137 PolarHBondContact O-N 3.24Å; D134-E137 PolarHBondContact O-N 3.45Å; E137-F139 PolarHBondContact O-N 3.14Å; E137-S140 WeakPolarHBondContact O-CB 3.35Å; E137-S140 PolarHBondContact O-N 3.4Å; E137-S140 VanDerWaalsContact O-N 3.14Å; E137-D141 PolarHBondContact O-N 2.84Å
138	E	96.1	Very high	94.2	Very high	87 Å²	87	61.1 Å²	61.1	41%	0.407	30%	0.303	S	S	.	.	H	α-helix	trans	-57.4	-45.8	175.3	-171.7	-159.9	156.3	0	0	112.4	D134 L142 K194	D134-E138 VanDerWaalsContact O-CB 3.29Å; D134-E138 WeakPolarHBondContact O-CB 3.38Å; D134-E138 PolarHBondContact O-N 3.17Å; E138-L142 PolarHBondContact O-N 2.62Å; E138-K194 IonicContact OE1-NZ 2.66Å; E138-K194 PolarHBondContact OE1-NZ 2.92Å; E138-K194 IonicContact OE2-NZ 3.82Å
139	F	97.1	Very high	93.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-38.3	176.1	176.3	-100.5	0	0	0	112.4	L135 V136 E137 D141 L142 Y143 V176 I180 K194 M197 L198 Y201	L135-F139 WeakPolarHBondContact O-CB 3.19Å; L135-F139 PolarHBondContact O-N 2.82Å; V136-F139 PolarHBondContact O-N 3.07Å; E137-F139 PolarHBondContact O-N 3.14Å; F139-D141 VanDerWaalsContact C-N 3.34Å; F139-L142 WeakPolarHBondContact O-CB 3.27Å; F139-L142 PolarHBondContact O-N 2.64Å; F139-Y143 HydrophobicContact CZ-CD2 4.3Å; F139-Y143 WeakPolarHBondContact O-CB 3.42Å; F139-Y143 PolarHBondContact O-N 2.86Å; F139-V176 HydrophobicContact CE2-CG1 3.93Å; F139-V176 HydrophobicContact CZ-CG1 4.43Å; F139-I180 HydrophobicContact CE2-CD1 4.12Å; F139-K194 HydrophobicContact CB-CG 4.4Å; F139-K194 HydrophobicContact CD2-CB 3.84Å; F139-K194 HydrophobicContact CD2-CD 4.45Å; F139-K194 HydrophobicContact CD2-CG 4.02Å; F139-K194 HydrophobicContact CE2-CB 4.3Å; F139-K194 VanDerWaalsContact CE2-O 3.3Å; F139-K194 WeakPolarHBondContact CE2-O 3.46Å; F139-M197 HydrophobicContact CB-CE 3.48Å; F139-M197 VanDerWaalsContact CB-CE 3.48Å; F139-M197 HydrophobicContact CB-SD 4.44Å; F139-M197 HydrophobicContact CD1-CB 3.6Å; F139-M197 HydrophobicContact CD1-CE 4Å; F139-M197 HydrophobicContact CD1-SD 4.23Å; F139-M197 HydrophobicContact CD2-CE 4.29Å; F139-M197 HydrophobicContact CE1-CB 3.53Å; F139-M197 HydrophobicContact CG-CB 4.2Å; F139-M197 HydrophobicContact CG-CE 3.63Å; F139-M197 HydrophobicContact CG-SD 4.45Å; F139-M197 HydrophobicContact CZ-CB 4.07Å; F139-L198 HydrophobicContact CE2-CB 4.31Å; F139-L198 HydrophobicContact CZ-CB 3.81Å; F139-L198 VanDerWaalsContact CZ-N 3.34Å; F139-Y201 HydrophobicContact CD1-CD2 4.44Å; F139-Y201 HydrophobicContact CD1-CE2 4.06Å; F139-Y201 HydrophobicContact CE1-CD1 4.32Å; F139-Y201 AromaticContact CE1-CD2 3.82Å; F139-Y201 HydrophobicContact CE1-CD2 3.82Å; F139-Y201 HydrophobicContact CE1-CE1 4.39Å; F139-Y201 AromaticContact CE1-CE2 3.9Å; F139-Y201 HydrophobicContact CE1-CE2 3.9Å; F139-Y201 HydrophobicContact CE1-CG 4.05Å
140	S	94.8	Very high	93.3	Very high	28 Å²	28	55.4 Å²	55.4	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-44.9	177.6	-160.1	0	0	0	0	110.8	V136 E137 L142 Y143 N144 Y201	V136-S140 VanDerWaalsContact O-CB 3.29Å; V136-S140 WeakPolarHBondContact O-CB 3.38Å; V136-S140 PolarHBondContact O-N 2.82Å; E137-S140 WeakPolarHBondContact O-CB 3.35Å; E137-S140 PolarHBondContact O-N 3.4Å; E137-S140 VanDerWaalsContact O-N 3.14Å; S140-L142 VanDerWaalsContact C-N 3.35Å; S140-L142 PolarHBondContact O-N 2.63Å; S140-Y143 PolarHBondContact O-N 2.65Å; S140-N144 WeakPolarHBondContact O-CB 3.35Å; S140-N144 PolarHBondContact O-N 3.38Å; S140-N144 PolarHBondContact O-ND2 3.14Å; S140-N144 PolarHBondContact OG-ND2 3.07Å; S140-Y201 WeakPolarHBondContact CB-OH 3.34Å; S140-Y201 PolarHBondContact OG-OH 3.33Å; S140-Y201 VanDerWaalsContact OG-OH 3.13Å
141	D	94.6	Very high	92.4	Very high	97 Å²	97	52.9 Å²	52.9	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-45.3	175.7	-73.2	-17.2	0	0	0	111.5	E137 F139 Q145	E137-D141 PolarHBondContact O-N 2.84Å; F139-D141 VanDerWaalsContact C-N 3.34Å; D141-Q145 WeakPolarHBondContact O-CG 3.24Å; D141-Q145 PolarHBondContact O-N 3.33Å
142	L	96.1	Very high	91.5	Very high	29 Å²	29	56.3 Å²	56.3	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-47.4	174.9	171.6	62.7	0	0	0	112	E138 F139 S140 V146 V176 R179 I180	E138-L142 PolarHBondContact O-N 2.62Å; F139-L142 WeakPolarHBondContact O-CB 3.27Å; F139-L142 PolarHBondContact O-N 2.64Å; S140-L142 VanDerWaalsContact C-N 3.35Å; S140-L142 PolarHBondContact O-N 2.63Å; L142-V146 PolarHBondContact O-N 2.94Å; L142-V176 HydrophobicContact CD2-CG1 4.42Å; L142-R179 HydrophobicContact CD1-CB 3.86Å; L142-R179 VanDerWaalsContact CD1-CD 3.4Å; L142-R179 HydrophobicContact CD1-CG 4.29Å; L142-I180 HydrophobicContact CD2-CG1 3.82Å
143	Y	95.4	Very high	90.5	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-48	-179.7	-177.6	-87.6	0	0	0	111.1	F139 S140 Q145 V146 Y147 T172 V176 L198 Y201 E205	F139-Y143 HydrophobicContact CZ-CD2 4.3Å; F139-Y143 WeakPolarHBondContact O-CB 3.42Å; F139-Y143 PolarHBondContact O-N 2.86Å; S140-Y143 PolarHBondContact O-N 2.65Å; Y143-Q145 VanDerWaalsContact C-N 3.32Å; Y143-Q145 PolarHBondContact O-N 2.85Å; Y143-V146 PolarHBondContact O-N 2.74Å; Y143-Y147 AromaticContact CE1-CD2 3.85Å; Y143-Y147 HydrophobicContact CE1-CD2 3.85Å; Y143-Y147 HydrophobicContact CE1-CG 4.23Å; Y143-Y147 WeakPolarHBondContact O-CB 3.32Å; Y143-Y147 PolarHBondContact O-N 3Å; Y143-T172 HydrophobicContact CD2-CG2 4.3Å; Y143-T172 HydrophobicContact CE2-CG2 3.63Å; Y143-V176 HydrophobicContact CD2-CG2 4.42Å; Y143-L198 HydrophobicContact CD2-CD1 4.16Å; Y143-L198 HydrophobicContact CE2-CD1 4Å; Y143-Y201 AromaticContact CD1-CD1 3.48Å; Y143-Y201 HydrophobicContact CD1-CD1 3.48Å; Y143-Y201 VanDerWaalsContact CD1-CD1 3.48Å; Y143-Y201 HydrophobicContact CD1-CE1 4.01Å; Y143-Y201 AromaticContact CD2-CD1 3.96Å; Y143-Y201 HydrophobicContact CD2-CD1 3.96Å; Y143-Y201 HydrophobicContact CD2-CG 4.36Å; Y143-Y201 AromaticContact CE1-CD1 3.79Å; Y143-Y201 HydrophobicContact CE1-CD1 3.79Å; Y143-Y201 HydrophobicContact CE2-CD1 4.23Å; Y143-Y201 HydrophobicContact CE2-CG 4.46Å; Y143-Y201 AromaticContact CG-CD1 3.58Å; Y143-Y201 HydrophobicContact CG-CD1 3.58Å; Y143-Y201 HydrophobicContact CG-CE1 4.11Å; Y143-Y201 HydrophobicContact CG-CG 4.39Å; Y143-E205 VanDerWaalsContact OH-CG 3.31Å; Y143-E205 WeakPolarHBondContact OH-CG 3.46Å
144	N	91.8	Very high	89.4	Confident	47 Å²	47	52.5 Å²	52.5	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-42	-179.4	-71.7	-32.8	0	0	0	111.4	S140 V146 Y147 E148	S140-N144 WeakPolarHBondContact O-CB 3.35Å; S140-N144 PolarHBondContact O-N 3.38Å; S140-N144 PolarHBondContact O-ND2 3.14Å; S140-N144 PolarHBondContact OG-ND2 3.07Å; N144-V146 VanDerWaalsContact C-N 3.28Å; N144-V146 PolarHBondContact O-N 3.4Å; N144-Y147 PolarHBondContact O-N 2.91Å; N144-E148 WeakPolarHBondContact O-CB 3.35Å; N144-E148 WeakPolarHBondContact O-CG 3.29Å; N144-E148 PolarHBondContact O-N 2.67Å
145	Q	92.8	Very high	88.3	Confident	102 Å²	102	53.9 Å²	53.9	48%	0.477	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-38	173.7	-72	168.2	30	0	0	112.8	D141 Y143 L149	D141-Q145 WeakPolarHBondContact O-CG 3.24Å; D141-Q145 PolarHBondContact O-N 3.33Å; Y143-Q145 VanDerWaalsContact C-N 3.32Å; Y143-Q145 PolarHBondContact O-N 2.85Å; Q145-L149 WeakPolarHBondContact O-CG 3.19Å
146	V	91.7	Very high	86.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-74.7	-39.8	176.8	173.1	0	0	0	0	111.1	L142 Y143 N144 L149 T150 F171 T172 L175 V176	L142-V146 PolarHBondContact O-N 2.94Å; Y143-V146 PolarHBondContact O-N 2.74Å; N144-V146 VanDerWaalsContact C-N 3.28Å; N144-V146 PolarHBondContact O-N 3.4Å; V146-L149 WeakPolarHBondContact O-CB 3.4Å; V146-L149 PolarHBondContact O-N 3.26Å; V146-T150 PolarHBondContact O-N 2.67Å; V146-F171 HydrophobicContact CG1-CE1 4.16Å; V146-T172 HydrophobicContact CG1-CG2 4.14Å; V146-L175 HydrophobicContact CG1-CB 4.14Å; V146-L175 HydrophobicContact CG1-CD2 3.99Å; V146-L175 HydrophobicContact CG1-CG 4.26Å; V146-L175 HydrophobicContact CG2-CD2 4.07Å; V146-L175 HydrophobicContact CG2-CG 4Å; V146-V176 HydrophobicContact CB-CG2 3.84Å; V146-V176 HydrophobicContact CG1-CG2 3.92Å; V146-V176 HydrophobicContact CG2-CG2 3.77Å
147	Y	88.3	Confident	85.3	Confident	20 Å²	20	59.5 Å²	59.5	8%	0.078	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-42	178.5	-169	-90.8	0	0	0	111.8	Y143 N144 L149 T150 E205 F222	Y143-Y147 AromaticContact CE1-CD2 3.85Å; Y143-Y147 HydrophobicContact CE1-CD2 3.85Å; Y143-Y147 HydrophobicContact CE1-CG 4.23Å; Y143-Y147 WeakPolarHBondContact O-CB 3.32Å; Y143-Y147 PolarHBondContact O-N 3Å; N144-Y147 PolarHBondContact O-N 2.91Å; Y147-L149 VanDerWaalsContact C-N 3.27Å; Y147-L149 PolarHBondContact O-N 2.88Å; Y147-T150 WeakPolarHBondContact O-CB 3.38Å; Y147-T150 PolarHBondContact O-N 3.48Å; Y147-T150 PolarHBondContact O-OG1 2.93Å; Y147-E205 VanDerWaalsContact CE2-CD 3.45Å; Y147-E205 HydrophobicContact CE2-CG 4.01Å; Y147-E205 WeakPolarHBondContact CE2-OE2 3.12Å; Y147-E205 VanDerWaalsContact CZ-OE2 3.27Å; Y147-E205 PolarHBondContact OH-OE2 2.91Å; Y147-F222 HydrophobicContact CE1-CE1 4.17Å; Y147-F222 HydrophobicContact CE1-CZ 4.44Å; Y147-F222 HydrophobicContact CE2-CE1 4.16Å; Y147-F222 HydrophobicContact CE2-CZ 4.01Å; Y147-F222 AromaticContact CZ-CE1 3.82Å; Y147-F222 AromaticContact CZ-CZ 3.7Å; Y147-F222 WeakPolarHBondContact OH-CZ 3.33Å
148	E	87.3	Confident	83.7	Confident	118 Å²	118	59.8 Å²	59.8	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-57.2	-40.1	173.8	-75.2	170.7	-176.7	0	0	111.8	N144 T150 Q151 E152	N144-E148 WeakPolarHBondContact O-CB 3.35Å; N144-E148 WeakPolarHBondContact O-CG 3.29Å; N144-E148 PolarHBondContact O-N 2.67Å; E148-T150 PolarHBondContact O-N 3.1Å; E148-Q151 PolarHBondContact O-N 2.86Å; E148-Q151 VanDerWaalsContact O-N 3.11Å; E148-E152 PolarHBondContact O-N 2.84Å
149	L	87.6	Confident	81.5	Confident	46 Å²	46	61.4 Å²	61.4	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-34	174.9	-65.5	171.3	0	0	0	112.1	Q145 V146 Y147 Q151 E152 F153 F171 L175	Q145-L149 WeakPolarHBondContact O-CG 3.19Å; V146-L149 WeakPolarHBondContact O-CB 3.4Å; V146-L149 PolarHBondContact O-N 3.26Å; Y147-L149 VanDerWaalsContact C-N 3.27Å; Y147-L149 PolarHBondContact O-N 2.88Å; L149-Q151 VanDerWaalsContact C-N 3.27Å; L149-Q151 PolarHBondContact O-N 2.79Å; L149-E152 PolarHBondContact O-N 3.36Å; L149-F153 WeakPolarHBondContact O-CD2 3.38Å; L149-F153 WeakPolarHBondContact O-CE2 3.5Å; L149-F153 PolarHBondContact O-N 2.99Å; L149-F171 HydrophobicContact CB-CE1 4.44Å; L149-F171 HydrophobicContact CB-CZ 4.45Å; L149-L175 HydrophobicContact CD1-CD2 3.87Å
150	T	84.9	Confident	79.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-36.4	178.1	72.2	0	0	0	0	112	V146 Y147 E148 V168 F171 L219 F222	V146-T150 PolarHBondContact O-N 2.67Å; Y147-T150 WeakPolarHBondContact O-CB 3.38Å; Y147-T150 PolarHBondContact O-N 3.48Å; Y147-T150 PolarHBondContact O-OG1 2.93Å; E148-T150 PolarHBondContact O-N 3.1Å; T150-V168 HydrophobicContact CG2-CG1 4.29Å; T150-F171 HydrophobicContact CG2-CD1 3.67Å; T150-F171 HydrophobicContact CG2-CE1 3.81Å; T150-L219 HydrophobicContact CG2-CD1 3.99Å; T150-F222 VanDerWaalsContact OG1-CD1 3.25Å; T150-F222 WeakPolarHBondContact OG1-CD1 3.46Å; T150-F222 VanDerWaalsContact OG1-CE1 3.27Å; T150-F222 WeakPolarHBondContact OG1-CE1 3.22Å
151	Q	77.7	Confident	77.2	Confident	82 Å²	82	66.1 Å²	66.1	38%	0.383	35%	0.353	S	S	.	.	H	α-helix	trans	-74.2	-34.2	178.3	-60.7	-172.8	-8.1	0	0	112	E148 L149 F153 F154 F222	E148-Q151 PolarHBondContact O-N 2.86Å; E148-Q151 VanDerWaalsContact O-N 3.11Å; L149-Q151 VanDerWaalsContact C-N 3.27Å; L149-Q151 PolarHBondContact O-N 2.79Å; Q151-F153 PolarHBondContact O-N 2.78Å; Q151-F154 PolarHBondContact O-N 3.03Å; Q151-F222 HydrophobicContact CG-CD1 4.11Å; Q151-F222 HydrophobicContact CG-CE1 4.1Å
152	E	78	Confident	75.1	Confident	77 Å²	77	66.2 Å²	66.2	36%	0.36	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-23.6	177	-71	-174.3	177.7	0	0	113.8	E148 L149 F154 Q155 N156	E148-E152 PolarHBondContact O-N 2.84Å; L149-E152 PolarHBondContact O-N 3.36Å; E152-F154 VanDerWaalsContact C-N 3.31Å; E152-F154 PolarHBondContact O-N 2.97Å; E152-Q155 PolarHBondContact O-N 3.46Å; E152-N156 WeakPolarHBondContact O-CB 3.4Å; E152-N156 PolarHBondContact O-N 3.42Å; E152-N156 PolarHBondContact O-ND2 3.23Å; E152-N156 VanDerWaalsContact O-ND2 3.13Å
153	F	74.3	Confident	73	Confident	36 Å²	36	73 Å²	73	16%	0.158	40%	0.398	C	S	.	.	H	α-helix	trans	-60.5	-42	179.8	-83	-86.3	0	0	0	112	L149 Q151 G157 K158 F171 L219	L149-F153 WeakPolarHBondContact O-CD2 3.38Å; L149-F153 WeakPolarHBondContact O-CE2 3.5Å; L149-F153 PolarHBondContact O-N 2.99Å; Q151-F153 PolarHBondContact O-N 2.78Å; F153-G157 PolarHBondContact O-N 2.97Å; F153-G157 VanDerWaalsContact O-N 3.11Å; F153-K158 HydrophobicContact CD1-CB 3.6Å; F153-K158 HydrophobicContact CD1-CD 4Å; F153-K158 HydrophobicContact CD1-CG 4.41Å; F153-K158 HydrophobicContact CE1-CB 3.92Å; F153-K158 HydrophobicContact CE1-CD 3.8Å; F153-K158 HydrophobicContact CZ-CD 4.46Å; F153-F171 HydrophobicContact CE2-CD2 4.41Å; F153-F171 AromaticContact CE2-CE1 3.97Å; F153-F171 HydrophobicContact CE2-CE1 3.97Å; F153-F171 AromaticContact CE2-CE2 3.74Å; F153-F171 HydrophobicContact CE2-CE2 3.74Å; F153-F171 AromaticContact CE2-CZ 3.49Å; F153-F171 HydrophobicContact CE2-CZ 3.49Å; F153-F171 VanDerWaalsContact CE2-CZ 3.49Å; F153-F171 HydrophobicContact CZ-CD2 4.36Å; F153-F171 AromaticContact CZ-CE2 3.65Å; F153-F171 HydrophobicContact CZ-CE2 3.65Å; F153-F171 AromaticContact CZ-CZ 3.84Å; F153-F171 HydrophobicContact CZ-CZ 3.84Å; F153-L219 HydrophobicContact CD2-CD1 4.05Å; F153-L219 HydrophobicContact CD2-CD2 4.38Å; F153-L219 HydrophobicContact CD2-CG 4.3Å; F153-L219 HydrophobicContact CE2-CD2 4.47Å; F153-L219 HydrophobicContact CG-CG 4.37Å
154	F	70	Confident	71.3	Confident	79 Å²	79	73.8 Å²	73.8	35%	0.346	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-45.5	176.8	-178.4	-101.4	0	0	0	111.2	Q151 E152 N156 S220 G223 E224	Q151-F154 PolarHBondContact O-N 3.03Å; E152-F154 VanDerWaalsContact C-N 3.31Å; E152-F154 PolarHBondContact O-N 2.97Å; F154-N156 PolarHBondContact O-N 3.44Å; F154-S220 WeakPolarHBondContact CD2-O 3.34Å; F154-G223 VanDerWaalsContact CD1-C 3.47Å; F154-G223 VanDerWaalsContact CD1-O 3.27Å; F154-G223 WeakPolarHBondContact CD1-O 3.36Å; F154-E224 HydrophobicContact CD2-CB 4.2Å; F154-E224 HydrophobicContact CE1-CB 4.43Å; F154-E224 HydrophobicContact CE2-CB 3.68Å; F154-E224 HydrophobicContact CE2-CG 4.16Å; F154-E224 HydrophobicContact CZ-CB 3.81Å; F154-E224 HydrophobicContact CZ-CG 4.01Å
155	Q	69.6	Low	70.3	Confident	150 Å²	150	78 Å²	78	70%	0.701	42%	0.422	S	S	*	.	H	α-helix	trans	-67.7	-37.5	-176.7	-62.3	-179.9	6	0	0	112.8	E152	E152-Q155 PolarHBondContact O-N 3.46Å
156	N	68.6	Low	70	Confident	97 Å²	97	74.4 Å²	74.4	52%	0.519	41%	0.406	S	S	.	.	H	α-helix	trans	-98.1	0.7	-172.5	-66.2	-53.2	0	0	0	114	E152 F154 K158	E152-N156 WeakPolarHBondContact O-CB 3.4Å; E152-N156 PolarHBondContact O-N 3.42Å; E152-N156 PolarHBondContact O-ND2 3.23Å; E152-N156 VanDerWaalsContact O-ND2 3.13Å; F154-N156 PolarHBondContact O-N 3.44Å; N156-K158 HydrophobicContact CB-CG 4.38Å; N156-K158 PolarHBondContact O-N 3.08Å; N156-K158 VanDerWaalsContact O-N 3.12Å
157	G	62	Low	70	Confident	62 Å²	62	74.5 Å²	74.5	64%	0.639	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	28.1	176.7	0	0	0	0	0	114	F153	F153-G157 PolarHBondContact O-N 2.97Å; F153-G157 VanDerWaalsContact O-N 3.11Å
158	K	58.5	Low	70.1	Confident	97 Å²	97	73.6 Å²	73.6	42%	0.422	40%	0.404	S	S	.	.			trans	-62.8	127.7	-176.9	-78.5	178.4	-175.5	167.1	0	108.8	F153 N156 V160	F153-K158 HydrophobicContact CD1-CB 3.6Å; F153-K158 HydrophobicContact CD1-CD 4Å; F153-K158 HydrophobicContact CD1-CG 4.41Å; F153-K158 HydrophobicContact CE1-CB 3.92Å; F153-K158 HydrophobicContact CE1-CD 3.8Å; F153-K158 HydrophobicContact CZ-CD 4.46Å; N156-K158 HydrophobicContact CB-CG 4.38Å; N156-K158 PolarHBondContact O-N 3.08Å; N156-K158 VanDerWaalsContact O-N 3.12Å; K158-V160 PolarHBondContact O-N 3.05Å
159	P	51.5	Low	70.4	Confident	121 Å²	121	68 Å²	68	79%	0.786	38%	0.377	S	S	*	.			trans	-63	124.9	176.1	24.1	-29.6	0	0	0	108.1	C161	P159-C161 PolarHBondContact O-N 2.97Å
160	V	52.6	Low	70.7	Confident	52 Å²	52	66.3 Å²	66.3	32%	0.315	37%	0.369	S	S	.	.			trans	-51.7	113.9	167.2	-179.2	0	0	0	0	106.8	K158 A162 N166	K158-V160 PolarHBondContact O-N 3.05Å; V160-A162 PolarHBondContact O-N 2.9Å; V160-N166 HydrophobicContact CG1-CB 3.73Å; V160-N166 HydrophobicContact CG2-CB 4.24Å; V160-N166 WeakPolarHBondContact CG2-OD1 3.45Å
161	C	48.4	Very low	71	Confident	75 Å²	75	68 Å²	68	51%	0.507	38%	0.376	S	S	.	.			trans	-64.9	130.7	166.4	-117.4	0	0	0	0	106.4	P159 E163 S164	P159-C161 PolarHBondContact O-N 2.97Å; C161-E163 HydrophobicContact CB-CB 4.25Å; C161-E163 PolarHBondContact O-N 3.24Å; C161-S164 PolarHBondContact O-N 2.71Å; C161-S164 PolarHBondContact O-OG 2.72Å
162	A	50.2	Low	71.7	Confident	100 Å²	100	64 Å²	64	83%	0.826	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-50.9	-20.9	175.1	0	0	0	0	0	112.4	V160 S164	V160-A162 PolarHBondContact O-N 2.9Å; A162-S164 VanDerWaalsContact C-N 3.28Å; A162-S164 PolarHBondContact O-N 2.68Å
163	E	51.4	Low	72.5	Confident	170 Å²	170	61.1 Å²	61.1	79%	0.794	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-59.7	-25.7	172.3	-58.4	178.4	169	0	0	114.6	C161	C161-E163 HydrophobicContact CB-CB 4.25Å; C161-E163 PolarHBondContact O-N 3.24Å
164	S	59.7	Low	73.3	Confident	19 Å²	19	62.8 Å²	62.8	13%	0.133	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-104.9	8.4	-173.2	63.6	0	0	0	0	115.9	C161 A162 N166 S167	C161-S164 PolarHBondContact O-N 2.71Å; C161-S164 PolarHBondContact O-OG 2.72Å; A162-S164 VanDerWaalsContact C-N 3.28Å; A162-S164 PolarHBondContact O-N 2.68Å; S164-N166 PolarHBondContact O-N 2.81Å; S164-S167 PolarHBondContact O-N 2.85Å
165	Q	71.4	Confident	74.4	Confident	134 Å²	134	61 Å²	61	63%	0.626	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	7.9	-178.9	-58.1	-172.1	-3.1	0	0	116.5	S167	Q165-S167 VanDerWaalsContact C-N 3.32Å
166	N	85.8	Confident	75.7	Confident	28 Å²	28	53.9 Å²	53.9	15%	0.15	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	33.8	-170.2	-161.9	20.4	0	0	0	114.9	V160 S164 S218 L219 S220	V160-N166 HydrophobicContact CG1-CB 3.73Å; V160-N166 HydrophobicContact CG2-CB 4.24Å; V160-N166 WeakPolarHBondContact CG2-OD1 3.45Å; S164-N166 PolarHBondContact O-N 2.81Å; N166-S218 PolarHBondContact ND2-OG 3.32Å; N166-S218 WeakPolarHBondContact O-CA 3.5Å; N166-L219 PolarHBondContact O-N 3.12Å; N166-S220 PolarHBondContact ND2-OG 3.14Å; N166-S220 WeakPolarHBondContact OD1-CB 3.45Å; N166-S220 PolarHBondContact OD1-N 2.7Å; N166-S220 PolarHBondContact OD1-OG 3.47Å
167	S	91.3	Very high	77	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.014	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-119.5	132	-171.7	170.8	0	0	0	0	112.2	S164 Q165 G169 V170 F171 M214 D215 V217	S164-S167 PolarHBondContact O-N 2.85Å; Q165-S167 VanDerWaalsContact C-N 3.32Å; S167-G169 VanDerWaalsContact C-N 3.33Å; S167-G169 PolarHBondContact OG-N 3.46Å; S167-V170 PolarHBondContact OG-N 2.94Å; S167-F171 VanDerWaalsContact O-CB 3.3Å; S167-F171 WeakPolarHBondContact O-CB 3.15Å; S167-F171 PolarHBondContact O-N 3.22Å; S167-M214 PolarHBondContact OG-O 2.98Å; S167-D215 WeakPolarHBondContact CB-O 3.3Å; S167-D215 WeakPolarHBondContact OG-CA 3.29Å; S167-D215 PolarHBondContact OG-O 3.15Å; S167-V217 WeakPolarHBondContact CA-O 3.4Å
168	V	92.4	Very high	78.6	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-44.3	175.8	176.8	0	0	0	0	110.4	T150 T172 M214 V217 L219 F222	T150-V168 HydrophobicContact CG2-CG1 4.29Å; V168-T172 WeakPolarHBondContact O-CB 3.24Å; V168-T172 PolarHBondContact O-N 3.08Å; V168-T172 PolarHBondContact O-OG1 3.26Å; V168-M214 HydrophobicContact CB-CE 4.01Å; V168-M214 HydrophobicContact CG1-CE 3.56Å; V168-V217 HydrophobicContact CB-CB 4.25Å; V168-V217 HydrophobicContact CB-CG1 4.33Å; V168-V217 HydrophobicContact CG2-CB 4.21Å; V168-V217 HydrophobicContact CG2-CG1 3.82Å; V168-V217 PolarHBondContact N-O 3.13Å; V168-L219 HydrophobicContact CG2-CB 4.26Å; V168-L219 HydrophobicContact CG2-CD1 4.11Å; V168-F222 HydrophobicContact CG2-CB 3.9Å; V168-F222 HydrophobicContact CG2-CD1 4.27Å; V168-F222 HydrophobicContact CG2-CD2 3.7Å; V168-F222 HydrophobicContact CG2-CE2 4.27Å; V168-F222 HydrophobicContact CG2-CG 3.7Å
169	G	93.6	Very high	80.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-48.4	179.5	0	0	0	0	0	112.5	S167 R173 M214 D215	S167-G169 VanDerWaalsContact C-N 3.33Å; S167-G169 PolarHBondContact OG-N 3.46Å; G169-R173 WeakPolarHBondContact O-CB 3.46Å; G169-R173 PolarHBondContact O-N 3.01Å; G169-M214 WeakPolarHBondContact CA-O 3.34Å; G169-M214 PolarHBondContact N-O 3.25Å; G169-D215 WeakPolarHBondContact CA-OD1 3.44Å
170	V	92.1	Very high	82.5	Confident	11 Å²	11	47.4 Å²	47.4	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-51.8	178.6	177.6	0	0	0	0	110.8	S167 T172 R173 D174 D215	S167-V170 PolarHBondContact OG-N 2.94Å; V170-T172 PolarHBondContact O-N 3.4Å; V170-R173 PolarHBondContact O-N 3.22Å; V170-D174 WeakPolarHBondContact O-CB 3.47Å; V170-D174 VanDerWaalsContact O-CG 3.3Å; V170-D174 PolarHBondContact O-N 3.11Å; V170-D215 PolarHBondContact N-OD1 2.73Å
171	F	91.8	Very high	84.6	Confident	34 Å²	34	49 Å²	49	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-49	-179.5	171.7	-91.9	0	0	0	112.4	V146 L149 T150 F153 S167 R173 D174 L175 L219	V146-F171 HydrophobicContact CG1-CE1 4.16Å; L149-F171 HydrophobicContact CB-CE1 4.44Å; L149-F171 HydrophobicContact CB-CZ 4.45Å; T150-F171 HydrophobicContact CG2-CD1 3.67Å; T150-F171 HydrophobicContact CG2-CE1 3.81Å; F153-F171 HydrophobicContact CE2-CD2 4.41Å; F153-F171 AromaticContact CE2-CE1 3.97Å; F153-F171 HydrophobicContact CE2-CE1 3.97Å; F153-F171 AromaticContact CE2-CE2 3.74Å; F153-F171 HydrophobicContact CE2-CE2 3.74Å; F153-F171 AromaticContact CE2-CZ 3.49Å; F153-F171 HydrophobicContact CE2-CZ 3.49Å; F153-F171 VanDerWaalsContact CE2-CZ 3.49Å; F153-F171 HydrophobicContact CZ-CD2 4.36Å; F153-F171 AromaticContact CZ-CE2 3.65Å; F153-F171 HydrophobicContact CZ-CE2 3.65Å; F153-F171 AromaticContact CZ-CZ 3.84Å; F153-F171 HydrophobicContact CZ-CZ 3.84Å; S167-F171 VanDerWaalsContact O-CB 3.3Å; S167-F171 WeakPolarHBondContact O-CB 3.15Å; S167-F171 PolarHBondContact O-N 3.22Å; F171-R173 VanDerWaalsContact C-N 3.35Å; F171-R173 PolarHBondContact O-N 2.87Å; F171-D174 PolarHBondContact O-N 3.46Å; F171-L175 HydrophobicContact CE1-CD2 4.13Å; F171-L175 HydrophobicContact CE2-CD2 4.34Å; F171-L175 HydrophobicContact CZ-CD2 3.67Å; F171-L175 WeakPolarHBondContact O-CB 3.27Å; F171-L175 PolarHBondContact O-N 3.09Å; F171-L219 HydrophobicContact CB-CD2 3.78Å; F171-L219 HydrophobicContact CD1-CD1 4.37Å; F171-L219 HydrophobicContact CD1-CD2 4.48Å; F171-L219 HydrophobicContact CD2-CD2 4.07Å; F171-L219 HydrophobicContact CG-CD2 3.84Å
172	T	93	Very high	86.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-47	-178.5	-58.7	0	0	0	0	110.1	Y143 V146 V168 V170 D174 V176 L198 L202	Y143-T172 HydrophobicContact CD2-CG2 4.3Å; Y143-T172 HydrophobicContact CE2-CG2 3.63Å; V146-T172 HydrophobicContact CG1-CG2 4.14Å; V168-T172 WeakPolarHBondContact O-CB 3.24Å; V168-T172 PolarHBondContact O-N 3.08Å; V168-T172 PolarHBondContact O-OG1 3.26Å; V170-T172 PolarHBondContact O-N 3.4Å; T172-D174 PolarHBondContact O-N 3.14Å; T172-V176 HydrophobicContact CG2-CG2 4.15Å; T172-V176 VanDerWaalsContact O-CB 3.24Å; T172-V176 WeakPolarHBondContact O-CB 3.43Å; T172-V176 WeakPolarHBondContact O-CG2 3.22Å; T172-V176 PolarHBondContact O-N 2.9Å; T172-L198 HydrophobicContact CG2-CD1 4.36Å; T172-L202 HydrophobicContact CG2-CD2 4.31Å
173	R	93.6	Very high	88.9	Confident	15 Å²	15	48.4 Å²	48.4	6%	0.057	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-44.7	-179.5	173.7	162.6	37.6	90.1	-11.1	112.3	G169 V170 F171 R177 L198 L202 D215 E388	G169-R173 WeakPolarHBondContact O-CB 3.46Å; G169-R173 PolarHBondContact O-N 3.01Å; V170-R173 PolarHBondContact O-N 3.22Å; F171-R173 VanDerWaalsContact C-N 3.35Å; F171-R173 PolarHBondContact O-N 2.87Å; R173-R177 WeakPolarHBondContact O-CB 3.45Å; R173-R177 PolarHBondContact O-N 3.26Å; R173-L198 HydrophobicContact CB-CD2 4.39Å; R173-L198 HydrophobicContact CG-CD2 4.23Å; R173-L202 HydrophobicContact CB-CD1 4.38Å; R173-D215 IonicContact CZ-OD1 3.84Å; R173-D215 IonicContact NH2-OD1 3.72Å; R173-D215 PolarHBondContact NH2-OD1 2.96Å; R173-D215 IonicContact NH2-OD2 2.9Å; R173-D215 PolarHBondContact NH2-OD2 3.22Å; R173-E388 PolarHBondContact NE-O 3.38Å; R173-E388 PolarHBondContact NH1-O 3.19Å; R173-E388 VanDerWaalsContact NH1-O 3.09Å; R173-E388 PolarHBondContact NH2-O 3.12Å; R173-E388 VanDerWaalsContact NH2-O 3.16Å
174	D	92.6	Very high	90.9	Very high	71 Å²	71	48.1 Å²	48.1	38%	0.38	23%	0.231	S	C	.	.	H	α-helix	trans	-68.3	-44.9	-178.9	-71.3	-13.3	0	0	0	112	V170 F171 T172 R177 K178	V170-D174 WeakPolarHBondContact O-CB 3.47Å; V170-D174 VanDerWaalsContact O-CG 3.3Å; V170-D174 PolarHBondContact O-N 3.11Å; F171-D174 PolarHBondContact O-N 3.46Å; T172-D174 PolarHBondContact O-N 3.14Å; D174-R177 IonicContact OD1-NH1 3.98Å; D174-K178 VanDerWaalsContact O-CB 3.28Å; D174-K178 WeakPolarHBondContact O-CB 2.82Å; D174-K178 PolarHBondContact O-N 3.14Å
175	L	93.5	Very high	92.6	Very high	42 Å²	42	56.1 Å²	56.1	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-71	-42.5	-178.8	-174.9	56.1	0	0	0	112.3	V146 L149 F171 K178 R179	V146-L175 HydrophobicContact CG1-CB 4.14Å; V146-L175 HydrophobicContact CG1-CD2 3.99Å; V146-L175 HydrophobicContact CG1-CG 4.26Å; V146-L175 HydrophobicContact CG2-CD2 4.07Å; V146-L175 HydrophobicContact CG2-CG 4Å; L149-L175 HydrophobicContact CD1-CD2 3.87Å; F171-L175 HydrophobicContact CE1-CD2 4.13Å; F171-L175 HydrophobicContact CE2-CD2 4.34Å; F171-L175 HydrophobicContact CZ-CD2 3.67Å; F171-L175 WeakPolarHBondContact O-CB 3.27Å; F171-L175 PolarHBondContact O-N 3.09Å; L175-K178 PolarHBondContact O-N 3.01Å; L175-R179 WeakPolarHBondContact O-CG 3.47Å; L175-R179 PolarHBondContact O-N 3.23Å
176	V	95.8	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-47.4	175.2	172.3	0	0	0	0	110.2	F139 L142 Y143 V146 T172 K178 R179 I180 L198	F139-V176 HydrophobicContact CE2-CG1 3.93Å; F139-V176 HydrophobicContact CZ-CG1 4.43Å; L142-V176 HydrophobicContact CD2-CG1 4.42Å; Y143-V176 HydrophobicContact CD2-CG2 4.42Å; V146-V176 HydrophobicContact CB-CG2 3.84Å; V146-V176 HydrophobicContact CG1-CG2 3.92Å; V146-V176 HydrophobicContact CG2-CG2 3.77Å; T172-V176 HydrophobicContact CG2-CG2 4.15Å; T172-V176 VanDerWaalsContact O-CB 3.24Å; T172-V176 WeakPolarHBondContact O-CB 3.43Å; T172-V176 WeakPolarHBondContact O-CG2 3.22Å; T172-V176 PolarHBondContact O-N 2.9Å; V176-K178 VanDerWaalsContact C-N 3.31Å; V176-K178 PolarHBondContact O-N 3.37Å; V176-R179 PolarHBondContact O-N 3.24Å; V176-I180 HydrophobicContact CG1-CD1 3.63Å; V176-I180 HydrophobicContact CG1-CG1 4.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.31Å; V176-I180 PolarHBondContact O-N 2.92Å; V176-L198 HydrophobicContact CB-CD1 4.14Å; V176-L198 HydrophobicContact CB-CD2 4.24Å; V176-L198 HydrophobicContact CG1-CB 4.48Å; V176-L198 HydrophobicContact CG1-CD1 4.08Å; V176-L198 HydrophobicContact CG1-CD2 4.07Å; V176-L198 HydrophobicContact CG1-CG 4.44Å; V176-L198 HydrophobicContact CG2-CD1 4.32Å
177	R	95.5	Very high	94.3	Very high	49 Å²	49	52.1 Å²	52.1	19%	0.185	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-45.6	177	177.5	-179.1	-67	141	-9.2	111.4	R173 D174 R179 I180 M181 L195	R173-R177 WeakPolarHBondContact O-CB 3.45Å; R173-R177 PolarHBondContact O-N 3.26Å; D174-R177 IonicContact OD1-NH1 3.98Å; R177-R179 PolarHBondContact O-N 3.48Å; R177-I180 PolarHBondContact O-N 3.19Å; R177-M181 HydrophobicContact CG-CG 4.36Å; R177-M181 WeakPolarHBondContact O-CB 3.21Å; R177-M181 VanDerWaalsContact O-CG 3.23Å; R177-M181 WeakPolarHBondContact O-CG 3.47Å; R177-M181 PolarHBondContact O-N 3.48Å; R177-L195 HydrophobicContact CB-CD2 3.98Å; R177-L195 HydrophobicContact CG-CD2 3.95Å
178	K	95.3	Very high	94.5	Very high	117 Å²	117	58.5 Å²	58.5	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-57.2	-50.5	177.1	-179.8	179.3	174.9	-179.1	0	111.4	D174 L175 V176 I180 M181 E182	D174-K178 VanDerWaalsContact O-CB 3.28Å; D174-K178 WeakPolarHBondContact O-CB 2.82Å; D174-K178 PolarHBondContact O-N 3.14Å; L175-K178 PolarHBondContact O-N 3.01Å; V176-K178 VanDerWaalsContact C-N 3.31Å; V176-K178 PolarHBondContact O-N 3.37Å; K178-I180 PolarHBondContact O-N 2.85Å; K178-M181 PolarHBondContact O-N 3.14Å; K178-M181 VanDerWaalsContact O-N 3.17Å; K178-E182 WeakPolarHBondContact CE-OE1 3.35Å; K178-E182 HydrophobicContact CG-CG 4.45Å; K178-E182 IonicContact NZ-OE1 2.67Å; K178-E182 WeakPolarHBondContact O-CG 3.46Å; K178-E182 PolarHBondContact O-N 3.39Å
179	R	96.5	Very high	94.6	Very high	75 Å²	75	62.7 Å²	62.7	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-40.8	179.5	-70.4	-178.6	-176.6	-166.7	5.6	112.5	L142 L175 V176 R177 M181 D183	L142-R179 HydrophobicContact CD1-CB 3.86Å; L142-R179 VanDerWaalsContact CD1-CD 3.4Å; L142-R179 HydrophobicContact CD1-CG 4.29Å; L175-R179 WeakPolarHBondContact O-CG 3.47Å; L175-R179 PolarHBondContact O-N 3.23Å; V176-R179 PolarHBondContact O-N 3.24Å; R177-R179 PolarHBondContact O-N 3.48Å; R179-M181 VanDerWaalsContact C-N 3.35Å; R179-M181 PolarHBondContact O-N 3.25Å; R179-D183 PolarHBondContact O-N 3.14Å
180	I	96.8	Very high	94.8	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-40.7	175.1	-68	165.1	0	0	0	111.5	F139 L142 V176 R177 K178 D183 K191 K194 L195	F139-I180 HydrophobicContact CE2-CD1 4.12Å; L142-I180 HydrophobicContact CD2-CG1 3.82Å; V176-I180 HydrophobicContact CG1-CD1 3.63Å; V176-I180 HydrophobicContact CG1-CG1 4.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.31Å; V176-I180 PolarHBondContact O-N 2.92Å; R177-I180 PolarHBondContact O-N 3.19Å; K178-I180 PolarHBondContact O-N 2.85Å; I180-D183 PolarHBondContact O-N 2.96Å; I180-K191 HydrophobicContact CG2-CB 3.73Å; I180-K191 HydrophobicContact CG2-CG 3.87Å; I180-K191 WeakPolarHBondContact O-CE 3.38Å; I180-K194 HydrophobicContact CD1-CB 3.68Å; I180-K194 HydrophobicContact CG1-CB 4.11Å; I180-K194 HydrophobicContact CG1-CD 4.31Å; I180-K194 HydrophobicContact CG2-CB 4.31Å; I180-L195 HydrophobicContact CD1-CD2 3.87Å; I180-L195 HydrophobicContact CD1-CG 4.33Å
181	M	95.1	Very high	95	Very high	84 Å²	84	64.3 Å²	64.3	41%	0.414	32%	0.321	S	S	.	.	H	α-helix	trans	-73	-33.5	-177.1	-69.6	-63.7	153.6	0	0	112.7	R177 K178 R179 D183 K191 L195	R177-M181 HydrophobicContact CG-CG 4.36Å; R177-M181 WeakPolarHBondContact O-CB 3.21Å; R177-M181 VanDerWaalsContact O-CG 3.23Å; R177-M181 WeakPolarHBondContact O-CG 3.47Å; R177-M181 PolarHBondContact O-N 3.48Å; K178-M181 PolarHBondContact O-N 3.14Å; K178-M181 VanDerWaalsContact O-N 3.17Å; R179-M181 VanDerWaalsContact C-N 3.35Å; R179-M181 PolarHBondContact O-N 3.25Å; M181-D183 VanDerWaalsContact C-N 3.31Å; M181-K191 PolarHBondContact O-NZ 2.92Å; M181-K191 HydrophobicContact SD-CD 4.38Å; M181-L195 HydrophobicContact CE-CD1 3.4Å; M181-L195 HydrophobicContact CE-CG 4.23Å
182	E	96	Very high	95.3	Very high	121 Å²	121	67.3 Å²	67.3	57%	0.565	33%	0.334	S	S	*	.	H	α-helix	trans	-74.1	-18.8	177.1	-72.1	174.3	167.8	0	0	113.3	K178 L184	K178-E182 WeakPolarHBondContact CE-OE1 3.35Å; K178-E182 HydrophobicContact CG-CG 4.45Å; K178-E182 IonicContact NZ-OE1 2.67Å; K178-E182 WeakPolarHBondContact O-CG 3.46Å; K178-E182 PolarHBondContact O-N 3.39Å; E182-L184 PolarHBondContact O-N 3.34Å
183	D	93.9	Very high	95.4	Very high	43 Å²	43	68.8 Å²	68.8	23%	0.23	34%	0.342	C	S	.	.			trans	-66.3	119.7	173.7	-166.5	-28.8	0	0	0	110.7	R179 I180 M181 E185 D186 K191 K194	R179-D183 PolarHBondContact O-N 3.14Å; I180-D183 PolarHBondContact O-N 2.96Å; M181-D183 VanDerWaalsContact C-N 3.31Å; D183-E185 WeakPolarHBondContact OD1-CB 3.39Å; D183-E185 PolarHBondContact OD1-N 3.47Å; D183-D186 HydrophobicContact CB-CB 4.48Å; D183-D186 PolarHBondContact OD1-N 3.43Å; D183-K191 WeakPolarHBondContact O-CE 3.24Å; D183-K191 PolarHBondContact O-NZ 3.18Å; D183-K194 IonicContact OD2-NZ 3.75Å
184	L	93.8	Very high	95.7	Very high	164 Å²	164	68.2 Å²	68.2	86%	0.859	34%	0.34	S	S	*	.	S	Bend	trans	-94.7	-12.2	-179.3	-60.3	179.3	0	0	0	113	E182	E182-L184 PolarHBondContact O-N 3.34Å
185	E	94.6	Very high	95.9	Very high	187 Å²	187	65.3 Å²	65.3	87%	0.874	32%	0.324	S	S	*	.	S	Bend	trans	-80.8	-33.9	179.6	-58.7	-169.5	173.1	0	0	110.8	D183	D183-E185 WeakPolarHBondContact OD1-CB 3.39Å; D183-E185 PolarHBondContact OD1-N 3.47Å
186	D	96	Very high	96.1	Very high	23 Å²	23	63.3 Å²	63.3	12%	0.123	31%	0.314	C	S	.	.	S	Bend	trans	-69.8	131.8	178.3	-92.2	-7.9	0	0	0	113.9	D183 T190 K191 K194	D183-D186 HydrophobicContact CB-CB 4.48Å; D183-D186 PolarHBondContact OD1-N 3.43Å; D186-T190 HydrophobicContact CB-CG2 4.39Å; D186-T190 VanDerWaalsContact OD1-CG2 3.22Å; D186-T190 WeakPolarHBondContact OD1-CG2 3.43Å; D186-K191 HydrophobicContact CB-CG 3.77Å; D186-K191 WeakPolarHBondContact O-CE 3.45Å; D186-K194 VanDerWaalsContact CG-NZ 3.32Å; D186-K194 IonicContact OD1-NZ 2.89Å; D186-K194 PolarHBondContact OD1-NZ 3.43Å; D186-K194 VanDerWaalsContact OD2-CD 3.27Å; D186-K194 WeakPolarHBondContact OD2-CD 3.42Å; D186-K194 WeakPolarHBondContact OD2-CE 3.24Å; D186-K194 IonicContact OD2-NZ 3.25Å; D186-K194 PolarHBondContact OD2-NZ 3.49Å
187	S	97.1	Very high	96.2	Very high	54 Å²	54	63.3 Å²	63.3	38%	0.378	31%	0.314	S	S	.	.			trans	-64	155.2	164.7	77.4	0	0	0	0	112.1	S189 T190 K191	S187-S189 PolarHBondContact O-N 2.94Å; S187-S189 PolarHBondContact OG-OG 2.87Å; S187-T190 WeakPolarHBondContact O-CA 3.47Å; S187-T190 WeakPolarHBondContact O-CB 3.46Å; S187-T190 PolarHBondContact O-N 3.39Å; S187-T190 PolarHBondContact OG-N 3.1Å; S187-T190 PolarHBondContact OG-OG1 3.42Å; S187-K191 WeakPolarHBondContact O-CG 3.44Å; S187-K191 PolarHBondContact O-N 2.95Å
188	E	95.9	Very high	96.2	Very high	136 Å²	136	61 Å²	61	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-55.1	-35.5	173.3	-71.6	-57.8	127.8	0	0	113.3	K191 K192	E188-K191 IonicContact OE1-NZ 3.14Å; E188-K192 WeakPolarHBondContact O-CB 3.35Å; E188-K192 PolarHBondContact O-N 3.5Å
189	S	95.1	Very high	96.2	Very high	90 Å²	90	55.6 Å²	55.6	63%	0.629	28%	0.282	S	S	*	.	H	α-helix	trans	-65.9	-38.9	173.6	41.2	0	0	0	0	112.8	S187 L193	S187-S189 PolarHBondContact O-N 2.94Å; S187-S189 PolarHBondContact OG-OG 2.87Å; S189-L193 WeakPolarHBondContact O-CB 3.34Å; S189-L193 PolarHBondContact O-N 3.31Å
190	T	96.8	Very high	96.2	Very high	32 Å²	32	52.1 Å²	52.1	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-45.6	176.1	-51.6	0	0	0	0	110.4	L135 D186 S187 K192 L193 K194	L135-T190 HydrophobicContact CD1-CG2 3.58Å; L135-T190 HydrophobicContact CD2-CG2 4.13Å; D186-T190 HydrophobicContact CB-CG2 4.39Å; D186-T190 VanDerWaalsContact OD1-CG2 3.22Å; D186-T190 WeakPolarHBondContact OD1-CG2 3.43Å; S187-T190 WeakPolarHBondContact O-CA 3.47Å; S187-T190 WeakPolarHBondContact O-CB 3.46Å; S187-T190 PolarHBondContact O-N 3.39Å; S187-T190 PolarHBondContact OG-N 3.1Å; S187-T190 PolarHBondContact OG-OG1 3.42Å; T190-K192 PolarHBondContact O-N 2.82Å; T190-L193 WeakPolarHBondContact O-CB 3.35Å; T190-L193 PolarHBondContact O-N 3.02Å; T190-L193 VanDerWaalsContact O-N 3.1Å; T190-K194 PolarHBondContact O-N 3.29Å
191	K	97.4	Very high	96.1	Very high	13 Å²	13	53 Å²	53	6%	0.057	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-46.9	175.8	-65.1	-175	179.6	-178	0	111.9	I180 M181 D183 D186 S187 E188 L193 K194 L195	I180-K191 HydrophobicContact CG2-CB 3.73Å; I180-K191 HydrophobicContact CG2-CG 3.87Å; I180-K191 WeakPolarHBondContact O-CE 3.38Å; M181-K191 PolarHBondContact O-NZ 2.92Å; M181-K191 HydrophobicContact SD-CD 4.38Å; D183-K191 WeakPolarHBondContact O-CE 3.24Å; D183-K191 PolarHBondContact O-NZ 3.18Å; D186-K191 HydrophobicContact CB-CG 3.77Å; D186-K191 WeakPolarHBondContact O-CE 3.45Å; S187-K191 WeakPolarHBondContact O-CG 3.44Å; S187-K191 PolarHBondContact O-N 2.95Å; E188-K191 IonicContact OE1-NZ 3.14Å; K191-L193 VanDerWaalsContact C-N 3.29Å; K191-L193 PolarHBondContact O-N 3.39Å; K191-K194 PolarHBondContact O-N 2.85Å; K191-L195 WeakPolarHBondContact O-CG 3.48Å; K191-L195 PolarHBondContact O-N 3.28Å
192	K	96.4	Very high	96.1	Very high	97 Å²	97	49.5 Å²	49.5	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-42.7	176.1	-172.2	-176.8	177.7	-169.8	0	111.3	E188 T190 L195 S196 E382 A385	E188-K192 WeakPolarHBondContact O-CB 3.35Å; E188-K192 PolarHBondContact O-N 3.5Å; T190-K192 PolarHBondContact O-N 2.82Å; K192-L195 PolarHBondContact O-N 3.49Å; K192-S196 PolarHBondContact O-N 2.71Å; K192-E382 VanDerWaalsContact CE-O 3.25Å; K192-E382 WeakPolarHBondContact CE-O 3.41Å; K192-A385 HydrophobicContact CG-CB 3.7Å; K192-A385 WeakPolarHBondContact O-CB 3.29Å
193	L	96.9	Very high	96.1	Very high	30 Å²	30	43.8 Å²	43.8	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-42.2	179.2	-169.2	57.2	0	0	0	112.3	T125 I131 L135 S189 T190 K191 L195 S196 M197 V380 E382	T125-L193 HydrophobicContact CG2-CD1 3.78Å; I131-L193 HydrophobicContact CD1-CD1 3.66Å; I131-L193 HydrophobicContact CD1-CD2 4.23Å; I131-L193 HydrophobicContact CD1-CG 4.02Å; I131-L193 HydrophobicContact CG1-CD1 4.22Å; I131-L193 HydrophobicContact CG1-CD2 4.18Å; I131-L193 HydrophobicContact CG2-CD2 3.99Å; L135-L193 HydrophobicContact CD2-CD2 3.84Å; S189-L193 WeakPolarHBondContact O-CB 3.34Å; S189-L193 PolarHBondContact O-N 3.31Å; T190-L193 WeakPolarHBondContact O-CB 3.35Å; T190-L193 PolarHBondContact O-N 3.02Å; T190-L193 VanDerWaalsContact O-N 3.1Å; K191-L193 VanDerWaalsContact C-N 3.29Å; K191-L193 PolarHBondContact O-N 3.39Å; L193-L195 VanDerWaalsContact C-N 3.31Å; L193-L195 PolarHBondContact O-N 3.32Å; L193-S196 WeakPolarHBondContact O-CB 3.48Å; L193-S196 PolarHBondContact O-N 3.18Å; L193-S196 VanDerWaalsContact O-N 3.14Å; L193-M197 WeakPolarHBondContact O-CG 3.42Å; L193-M197 PolarHBondContact O-N 3.31Å; L193-V380 HydrophobicContact CD1-CG1 4.3Å; L193-E382 HydrophobicContact CD1-CG 4.47Å
194	K	97.9	Very high	96.1	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-41	172.4	-72.5	-176.2	176.7	170.7	0	111.7	L135 E138 F139 I180 D183 D186 T190 K191 S196 M197 L198	L135-K194 HydrophobicContact CD1-CD 4.46Å; L135-K194 VanDerWaalsContact CD1-CE 3.49Å; L135-K194 HydrophobicContact CD1-CG 4.21Å; E138-K194 IonicContact OE1-NZ 2.66Å; E138-K194 PolarHBondContact OE1-NZ 2.92Å; E138-K194 IonicContact OE2-NZ 3.82Å; F139-K194 HydrophobicContact CB-CG 4.4Å; F139-K194 HydrophobicContact CD2-CB 3.84Å; F139-K194 HydrophobicContact CD2-CD 4.45Å; F139-K194 HydrophobicContact CD2-CG 4.02Å; F139-K194 HydrophobicContact CE2-CB 4.3Å; F139-K194 VanDerWaalsContact CE2-O 3.3Å; F139-K194 WeakPolarHBondContact CE2-O 3.46Å; I180-K194 HydrophobicContact CD1-CB 3.68Å; I180-K194 HydrophobicContact CG1-CB 4.11Å; I180-K194 HydrophobicContact CG1-CD 4.31Å; I180-K194 HydrophobicContact CG2-CB 4.31Å; D183-K194 IonicContact OD2-NZ 3.75Å; D186-K194 VanDerWaalsContact CG-NZ 3.32Å; D186-K194 IonicContact OD1-NZ 2.89Å; D186-K194 PolarHBondContact OD1-NZ 3.43Å; D186-K194 VanDerWaalsContact OD2-CD 3.27Å; D186-K194 WeakPolarHBondContact OD2-CD 3.42Å; D186-K194 WeakPolarHBondContact OD2-CE 3.24Å; D186-K194 IonicContact OD2-NZ 3.25Å; D186-K194 PolarHBondContact OD2-NZ 3.49Å; T190-K194 PolarHBondContact O-N 3.29Å; K191-K194 PolarHBondContact O-N 2.85Å; K194-S196 PolarHBondContact O-N 2.85Å; K194-M197 HydrophobicContact CB-CE 4.35Å; K194-M197 HydrophobicContact CG-CE 3.93Å; K194-M197 PolarHBondContact O-N 3.44Å; K194-L198 PolarHBondContact O-N 3.13Å
195	L	97.5	Very high	96	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-34.4	174.1	-71.7	179.3	0	0	0	113.7	R177 I180 M181 K191 K192 L193 L198 Q199 A385	R177-L195 HydrophobicContact CB-CD2 3.98Å; R177-L195 HydrophobicContact CG-CD2 3.95Å; I180-L195 HydrophobicContact CD1-CD2 3.87Å; I180-L195 HydrophobicContact CD1-CG 4.33Å; M181-L195 HydrophobicContact CE-CD1 3.4Å; M181-L195 HydrophobicContact CE-CG 4.23Å; K191-L195 WeakPolarHBondContact O-CG 3.48Å; K191-L195 PolarHBondContact O-N 3.28Å; K192-L195 PolarHBondContact O-N 3.49Å; L193-L195 VanDerWaalsContact C-N 3.31Å; L193-L195 PolarHBondContact O-N 3.32Å; L195-L198 HydrophobicContact CD2-CD2 4.39Å; L195-L198 WeakPolarHBondContact O-CB 3.38Å; L195-L198 PolarHBondContact O-N 2.9Å; L195-Q199 PolarHBondContact O-N 3.37Å; L195-A385 HydrophobicContact CB-CB 3.95Å; L195-A385 WeakPolarHBondContact CB-O 3.32Å
196	S	97.3	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69	-37.6	171.5	-75.3	0	0	0	0	112.4	K192 L193 K194 L198 Q199 Q200 V380 W381 E382 A385	K192-S196 PolarHBondContact O-N 2.71Å; L193-S196 WeakPolarHBondContact O-CB 3.48Å; L193-S196 PolarHBondContact O-N 3.18Å; L193-S196 VanDerWaalsContact O-N 3.14Å; K194-S196 PolarHBondContact O-N 2.85Å; S196-L198 VanDerWaalsContact C-N 3.31Å; S196-L198 PolarHBondContact O-N 2.8Å; S196-Q199 PolarHBondContact O-N 3.26Å; S196-Q200 PolarHBondContact O-N 2.82Å; S196-V380 VanDerWaalsContact CB-CG1 3.47Å; S196-W381 WeakPolarHBondContact CB-O 3.46Å; S196-W381 PolarHBondContact OG-O 3.39Å; S196-E382 VanDerWaalsContact OG-CA 3.27Å; S196-E382 WeakPolarHBondContact OG-CA 3.25Å; S196-A385 WeakPolarHBondContact OG-CB 3.34Å
197	M	97.5	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-36.8	173.7	-68.9	-170.7	-67.4	0	0	111.6	I131 L135 V136 F139 L193 K194 Q199 Q200 Y201 V380	I131-M197 HydrophobicContact CD1-CG 4Å; I131-M197 HydrophobicContact CD1-SD 3.98Å; I131-M197 HydrophobicContact CG2-SD 4.19Å; L135-M197 HydrophobicContact CG-CE 4.24Å; V136-M197 HydrophobicContact CG2-SD 4.15Å; F139-M197 HydrophobicContact CB-CE 3.48Å; F139-M197 VanDerWaalsContact CB-CE 3.48Å; F139-M197 HydrophobicContact CB-SD 4.44Å; F139-M197 HydrophobicContact CD1-CB 3.6Å; F139-M197 HydrophobicContact CD1-CE 4Å; F139-M197 HydrophobicContact CD1-SD 4.23Å; F139-M197 HydrophobicContact CD2-CE 4.29Å; F139-M197 HydrophobicContact CE1-CB 3.53Å; F139-M197 HydrophobicContact CG-CB 4.2Å; F139-M197 HydrophobicContact CG-CE 3.63Å; F139-M197 HydrophobicContact CG-SD 4.45Å; F139-M197 HydrophobicContact CZ-CB 4.07Å; L193-M197 WeakPolarHBondContact O-CG 3.42Å; L193-M197 PolarHBondContact O-N 3.31Å; K194-M197 HydrophobicContact CB-CE 4.35Å; K194-M197 HydrophobicContact CG-CE 3.93Å; K194-M197 PolarHBondContact O-N 3.44Å; M197-Q199 VanDerWaalsContact C-N 3.32Å; M197-Q199 PolarHBondContact O-N 2.88Å; M197-Q200 WeakPolarHBondContact O-CB 3.19Å; M197-Q200 PolarHBondContact O-N 3.49Å; M197-Q200 VanDerWaalsContact O-N 3.12Å; M197-Y201 VanDerWaalsContact O-CD2 3.28Å; M197-Y201 WeakPolarHBondContact O-CD2 3.27Å; M197-Y201 PolarHBondContact O-N 2.73Å; M197-V380 HydrophobicContact CG-CG1 4.06Å; M197-V380 HydrophobicContact CG-CG2 4.1Å
198	L	97	Very high	95.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.2	-45	172.4	169.1	64.6	0	0	0	112.3	F139 Y143 T172 R173 V176 K194 L195 S196 Q200 Y201 L202	F139-L198 HydrophobicContact CE2-CB 4.31Å; F139-L198 HydrophobicContact CZ-CB 3.81Å; F139-L198 VanDerWaalsContact CZ-N 3.34Å; Y143-L198 HydrophobicContact CD2-CD1 4.16Å; Y143-L198 HydrophobicContact CE2-CD1 4Å; T172-L198 HydrophobicContact CG2-CD1 4.36Å; R173-L198 HydrophobicContact CB-CD2 4.39Å; R173-L198 HydrophobicContact CG-CD2 4.23Å; V176-L198 HydrophobicContact CB-CD1 4.14Å; V176-L198 HydrophobicContact CB-CD2 4.24Å; V176-L198 HydrophobicContact CG1-CB 4.48Å; V176-L198 HydrophobicContact CG1-CD1 4.08Å; V176-L198 HydrophobicContact CG1-CD2 4.07Å; V176-L198 HydrophobicContact CG1-CG 4.44Å; V176-L198 HydrophobicContact CG2-CD1 4.32Å; K194-L198 PolarHBondContact O-N 3.13Å; L195-L198 HydrophobicContact CD2-CD2 4.39Å; L195-L198 WeakPolarHBondContact O-CB 3.38Å; L195-L198 PolarHBondContact O-N 2.9Å; S196-L198 VanDerWaalsContact C-N 3.31Å; S196-L198 PolarHBondContact O-N 2.8Å; L198-Q200 VanDerWaalsContact C-N 3.33Å; L198-Q200 PolarHBondContact O-N 3.34Å; L198-Y201 PolarHBondContact O-N 2.97Å; L198-L202 HydrophobicContact CD1-CD1 4.03Å; L198-L202 HydrophobicContact CD1-CG 4.14Å; L198-L202 HydrophobicContact CG-CD1 4.2Å; L198-L202 VanDerWaalsContact O-CG 3.31Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.42Å
199	Q	95.7	Very high	95.2	Very high	5 Å²	5	20.8 Å²	20.8	2%	0.023	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-40.3	177	-62.3	-60.5	-19.7	0	0	111.8	L195 S196 M197 L202 K203 E384 L387 L390	L195-Q199 PolarHBondContact O-N 3.37Å; S196-Q199 PolarHBondContact O-N 3.26Å; M197-Q199 VanDerWaalsContact C-N 3.32Å; M197-Q199 PolarHBondContact O-N 2.88Å; Q199-L202 PolarHBondContact O-N 2.64Å; Q199-K203 WeakPolarHBondContact O-CG 3.38Å; Q199-K203 PolarHBondContact O-N 2.83Å; Q199-K203 VanDerWaalsContact O-N 3.12Å; Q199-E384 HydrophobicContact CB-CB 4.29Å; Q199-E384 HydrophobicContact CG-CB 4.06Å; Q199-E384 WeakPolarHBondContact CG-O 3.49Å; Q199-L387 PolarHBondContact NE2-O 3.16Å; Q199-L390 HydrophobicContact CB-CD1 4.24Å; Q199-L390 VanDerWaalsContact OE1-CD1 3.25Å
200	Q	95.5	Very high	95	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-46.6	176.3	-169	-78.7	-26.6	0	0	111.4	S196 M197 L198 L202 K203 V204 F379 V380 C402	S196-Q200 PolarHBondContact O-N 2.82Å; M197-Q200 WeakPolarHBondContact O-CB 3.19Å; M197-Q200 PolarHBondContact O-N 3.49Å; M197-Q200 VanDerWaalsContact O-N 3.12Å; L198-Q200 VanDerWaalsContact C-N 3.33Å; L198-Q200 PolarHBondContact O-N 3.34Å; Q200-L202 PolarHBondContact O-N 2.96Å; Q200-K203 WeakPolarHBondContact O-CB 3.37Å; Q200-K203 PolarHBondContact O-N 2.68Å; Q200-K203 VanDerWaalsContact O-N 3.16Å; Q200-V204 WeakPolarHBondContact O-CG2 3.27Å; Q200-V204 PolarHBondContact O-N 2.99Å; Q200-V204 VanDerWaalsContact O-N 3.13Å; Q200-F379 WeakPolarHBondContact CG-O 3.09Å; Q200-V380 HydrophobicContact CB-CG2 4.24Å; Q200-V380 HydrophobicContact CG-CG2 4.18Å; Q200-C402 PolarHBondContact NE2-O 2.91Å; Q200-C402 VanDerWaalsContact NE2-O 3.08Å
201	Y	95.7	Very high	94.9	Very high	20 Å²	20	15 Å²	15	8%	0.078	7%	0.074	C	C	.	.	H	α-helix	trans	-61.9	-42.6	177.3	-86.6	-125.1	0	0	0	111.7	Y123 F139 S140 Y143 M197 L198 K203 V204 E205	Y123-Y201 HydrophobicContact CE1-CD2 4.48Å; Y123-Y201 AromaticContact CE1-CE2 3.74Å; Y123-Y201 HydrophobicContact CE1-CE2 3.74Å; Y123-Y201 AromaticContact CZ-CE2 3.96Å; Y123-Y201 PolarHBondContact OH-OH 2.83Å; F139-Y201 HydrophobicContact CD1-CD2 4.44Å; F139-Y201 HydrophobicContact CD1-CE2 4.06Å; F139-Y201 HydrophobicContact CE1-CD1 4.32Å; F139-Y201 AromaticContact CE1-CD2 3.82Å; F139-Y201 HydrophobicContact CE1-CD2 3.82Å; F139-Y201 HydrophobicContact CE1-CE1 4.39Å; F139-Y201 AromaticContact CE1-CE2 3.9Å; F139-Y201 HydrophobicContact CE1-CE2 3.9Å; F139-Y201 HydrophobicContact CE1-CG 4.05Å; S140-Y201 WeakPolarHBondContact CB-OH 3.34Å; S140-Y201 PolarHBondContact OG-OH 3.33Å; S140-Y201 VanDerWaalsContact OG-OH 3.13Å; Y143-Y201 AromaticContact CD1-CD1 3.48Å; Y143-Y201 HydrophobicContact CD1-CD1 3.48Å; Y143-Y201 VanDerWaalsContact CD1-CD1 3.48Å; Y143-Y201 HydrophobicContact CD1-CE1 4.01Å; Y143-Y201 AromaticContact CD2-CD1 3.96Å; Y143-Y201 HydrophobicContact CD2-CD1 3.96Å; Y143-Y201 HydrophobicContact CD2-CG 4.36Å; Y143-Y201 AromaticContact CE1-CD1 3.79Å; Y143-Y201 HydrophobicContact CE1-CD1 3.79Å; Y143-Y201 HydrophobicContact CE2-CD1 4.23Å; Y143-Y201 HydrophobicContact CE2-CG 4.46Å; Y143-Y201 AromaticContact CG-CD1 3.58Å; Y143-Y201 HydrophobicContact CG-CD1 3.58Å; Y143-Y201 HydrophobicContact CG-CE1 4.11Å; Y143-Y201 HydrophobicContact CG-CG 4.39Å; M197-Y201 VanDerWaalsContact O-CD2 3.28Å; M197-Y201 WeakPolarHBondContact O-CD2 3.27Å; M197-Y201 PolarHBondContact O-N 2.73Å; L198-Y201 PolarHBondContact O-N 2.97Å; Y201-K203 VanDerWaalsContact C-N 3.28Å; Y201-K203 PolarHBondContact O-N 3.03Å; Y201-V204 WeakPolarHBondContact O-CB 3.45Å; Y201-V204 PolarHBondContact O-N 3.39Å; Y201-V204 VanDerWaalsContact O-N 3.13Å; Y201-E205 WeakPolarHBondContact O-CG 3.11Å; Y201-E205 PolarHBondContact O-N 3.05Å
202	L	94.9	Very high	94.8	Very high	10 Å²	10	15.6 Å²	15.6	5%	0.052	8%	0.079	C	C	.	.	H	α-helix	trans	-63.1	-31.8	176.4	-69.7	172	0	0	0	112.8	T172 R173 L198 Q199 Q200 S206 M214	T172-L202 HydrophobicContact CG2-CD2 4.31Å; R173-L202 HydrophobicContact CB-CD1 4.38Å; L198-L202 HydrophobicContact CD1-CD1 4.03Å; L198-L202 HydrophobicContact CD1-CG 4.14Å; L198-L202 HydrophobicContact CG-CD1 4.2Å; L198-L202 VanDerWaalsContact O-CG 3.31Å; L198-L202 WeakPolarHBondContact O-CG 3.49Å; L198-L202 PolarHBondContact O-N 3.42Å; Q199-L202 PolarHBondContact O-N 2.64Å; Q200-L202 PolarHBondContact O-N 2.96Å; L202-S206 WeakPolarHBondContact O-CB 3.37Å; L202-S206 PolarHBondContact O-N 3Å; L202-S206 PolarHBondContact O-OG 3.13Å; L202-M214 HydrophobicContact CD2-CB 4.03Å; L202-M214 HydrophobicContact CD2-CG 4.13Å
203	K	94.9	Very high	94.7	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-68.6	-40	172.8	-66.7	170.5	-167.3	-178.2	0	111.9	Q199 Q200 Y201 S206 C207 W381 E384 L390 Y392 K399 C402	Q199-K203 WeakPolarHBondContact O-CG 3.38Å; Q199-K203 PolarHBondContact O-N 2.83Å; Q199-K203 VanDerWaalsContact O-N 3.12Å; Q200-K203 WeakPolarHBondContact O-CB 3.37Å; Q200-K203 PolarHBondContact O-N 2.68Å; Q200-K203 VanDerWaalsContact O-N 3.16Å; Y201-K203 VanDerWaalsContact C-N 3.28Å; Y201-K203 PolarHBondContact O-N 3.03Å; K203-S206 WeakPolarHBondContact O-CB 3.23Å; K203-S206 PolarHBondContact O-N 3.13Å; K203-C207 PolarHBondContact O-N 3.21Å; K203-C207 VanDerWaalsContact O-N 3.15Å; K203-C207 PolarHBondContact O-SG 2.97Å; K203-C207 VanDerWaalsContact O-SG 3.37Å; K203-W381 VanDerWaalsContact NZ-CD1 3.35Å; K203-E384 VanDerWaalsContact CE-OE2 3.29Å; K203-E384 WeakPolarHBondContact CE-OE2 3.47Å; K203-E384 VanDerWaalsContact NZ-CD 3.34Å; K203-E384 IonicContact NZ-OE1 2.63Å; K203-E384 PolarHBondContact NZ-OE1 2.81Å; K203-E384 IonicContact NZ-OE2 3.94Å; K203-E384 PolarHBondContact NZ-OE2 2.9Å; K203-L390 HydrophobicContact CG-CD1 4.23Å; K203-Y392 WeakPolarHBondContact CE-OH 3.19Å; K203-Y392 PolarHBondContact NZ-OH 3.13Å; K203-K399 PolarHBondContact NZ-O 3Å; K203-C402 HydrophobicContact CB-CB 3.76Å
204	V	93.8	Very high	94.6	Very high	24 Å²	24	10.9 Å²	10.9	15%	0.145	6%	0.06	C	C	.	.	H	α-helix	trans	-58.5	-53.1	174.1	176	0	0	0	0	109.7	I112 Q200 Y201 S206 C207 E208 C402	I112-V204 HydrophobicContact CD1-CG1 3.48Å; I112-V204 VanDerWaalsContact CD1-CG1 3.48Å; Q200-V204 WeakPolarHBondContact O-CG2 3.27Å; Q200-V204 PolarHBondContact O-N 2.99Å; Q200-V204 VanDerWaalsContact O-N 3.13Å; Y201-V204 WeakPolarHBondContact O-CB 3.45Å; Y201-V204 PolarHBondContact O-N 3.39Å; Y201-V204 VanDerWaalsContact O-N 3.13Å; V204-S206 PolarHBondContact O-N 3.21Å; V204-C207 WeakPolarHBondContact O-CB 3.19Å; V204-C207 PolarHBondContact O-N 3.03Å; V204-E208 PolarHBondContact O-N 3.37Å; V204-C402 HydrophobicContact CG2-CB 3.92Å
205	E	93.1	Very high	94.4	Very high	12 Å²	12	12.1 Å²	12.1	6%	0.056	7%	0.067	C	C	.	.	H	α-helix	trans	-60.8	-31.7	178	-65.2	-60.8	147	0	0	113.2	Y143 Y147 Y201 C207 E208 S209 M214	Y143-E205 VanDerWaalsContact OH-CG 3.31Å; Y143-E205 WeakPolarHBondContact OH-CG 3.46Å; Y147-E205 VanDerWaalsContact CE2-CD 3.45Å; Y147-E205 HydrophobicContact CE2-CG 4.01Å; Y147-E205 WeakPolarHBondContact CE2-OE2 3.12Å; Y147-E205 VanDerWaalsContact CZ-OE2 3.27Å; Y147-E205 PolarHBondContact OH-OE2 2.91Å; Y201-E205 WeakPolarHBondContact O-CG 3.11Å; Y201-E205 PolarHBondContact O-N 3.05Å; E205-C207 VanDerWaalsContact C-N 3.33Å; E205-E208 PolarHBondContact O-N 3.07Å; E205-S209 WeakPolarHBondContact O-CB 3.41Å; E205-S209 PolarHBondContact O-N 3.36Å; E205-S209 PolarHBondContact O-OG 3.43Å; E205-M214 HydrophobicContact CB-CE 4.08Å; E205-M214 HydrophobicContact CB-CG 3.7Å; E205-M214 HydrophobicContact CB-SD 3.58Å; E205-M214 VanDerWaalsContact CB-SD 3.58Å
206	S	94.6	Very high	94.2	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-65.4	-36.8	174.6	-57.2	0	0	0	0	111.7	L202 K203 V204 S209 S210 S211 M214 C422	L202-S206 WeakPolarHBondContact O-CB 3.37Å; L202-S206 PolarHBondContact O-N 3Å; L202-S206 PolarHBondContact O-OG 3.13Å; K203-S206 WeakPolarHBondContact O-CB 3.23Å; K203-S206 PolarHBondContact O-N 3.13Å; V204-S206 PolarHBondContact O-N 3.21Å; S206-S209 PolarHBondContact O-OG 2.81Å; S206-S210 CarbonylContact O-C 3.5Å; S206-S210 WeakPolarHBondContact O-CA 3.46Å; S206-S210 PolarHBondContact O-N 2.91Å; S206-S210 VanDerWaalsContact O-N 3.1Å; S206-S211 PolarHBondContact O-N 3.47Å; S206-S211 VanDerWaalsContact O-O 3.09Å; S206-M214 PolarHBondContact OG-N 3.05Å; S206-C422 VanDerWaalsContact CB-SG 3.57Å
207	C	93.2	Very high	94	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-70	-44.8	174.8	-62.5	0	0	0	0	110.9	K203 V204 E205 S209 S210 T358 W420 Y475	K203-C207 PolarHBondContact O-N 3.21Å; K203-C207 VanDerWaalsContact O-N 3.15Å; K203-C207 PolarHBondContact O-SG 2.97Å; K203-C207 VanDerWaalsContact O-SG 3.37Å; V204-C207 WeakPolarHBondContact O-CB 3.19Å; V204-C207 PolarHBondContact O-N 3.03Å; E205-C207 VanDerWaalsContact C-N 3.33Å; C207-S209 PolarHBondContact O-N 3.14Å; C207-S210 PolarHBondContact O-N 2.96Å; C207-T358 HydrophobicContact CB-CG2 4.31Å; C207-W420 HydrophobicContact CB-CB 4.21Å; C207-Y475 PolarHBondContact O-OH 3.45Å
208	E	88.5	Confident	93.8	Very high	60 Å²	60	14.7 Å²	14.7	28%	0.28	8%	0.079	S	C	.	.	H	α-helix	trans	-57.9	-48.4	178.4	-68.9	-55.6	114.3	0	0	112.1	I112 V204 E205 S210 Y475	I112-E208 HydrophobicContact CD1-CG 4.3Å; I112-E208 WeakPolarHBondContact CD1-OE1 3.39Å; I112-E208 WeakPolarHBondContact CG1-OE1 3.49Å; V204-E208 PolarHBondContact O-N 3.37Å; E205-E208 PolarHBondContact O-N 3.07Å; E208-S210 VanDerWaalsContact C-N 3.25Å; E208-S210 PolarHBondContact O-N 3.43Å; E208-Y475 WeakPolarHBondContact O-CE2 3.38Å
209	S	89.7	Confident	93.4	Very high	24 Å²	24	14.8 Å²	14.8	17%	0.168	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.3	178.4	58.4	0	0	0	0	113.8	E205 S206 C207 S211 F477	E205-S209 WeakPolarHBondContact O-CB 3.41Å; E205-S209 PolarHBondContact O-N 3.36Å; E205-S209 PolarHBondContact O-OG 3.43Å; S206-S209 PolarHBondContact O-OG 2.81Å; C207-S209 PolarHBondContact O-N 3.14Å; S209-S211 PolarHBondContact O-N 3.12Å; S209-S211 WeakPolarHBondContact OG-CB 3.28Å; S209-S211 PolarHBondContact OG-OG 3.3Å; S209-F477 WeakPolarHBondContact O-CB 3.44Å
210	S	91.7	Very high	93	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.3	47.4	-163.9	-178.2	0	0	0	0	112.7	S206 C207 E208 S356 T358 Y475 F477	S206-S210 CarbonylContact O-C 3.5Å; S206-S210 WeakPolarHBondContact O-CA 3.46Å; S206-S210 PolarHBondContact O-N 2.91Å; S206-S210 VanDerWaalsContact O-N 3.1Å; C207-S210 PolarHBondContact O-N 2.96Å; E208-S210 VanDerWaalsContact C-N 3.25Å; E208-S210 PolarHBondContact O-N 3.43Å; S210-S356 WeakPolarHBondContact O-CB 3.49Å; S210-S356 PolarHBondContact OG-O 2.69Å; S210-T358 VanDerWaalsContact CA-OG1 3.25Å; S210-T358 WeakPolarHBondContact CA-OG1 3.09Å; S210-T358 WeakPolarHBondContact CB-OG1 3.44Å; S210-T358 PolarHBondContact OG-OG1 3.19Å; S210-Y475 VanDerWaalsContact CB-CZ 3.42Å; S210-F477 WeakPolarHBondContact O-CD1 3.48Å
211	S	94.6	Very high	92.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.			trans	-99.8	149.1	168.7	64.6	0	0	0	0	109.7	S206 S209 S213 V217 C422	S206-S211 PolarHBondContact O-N 3.47Å; S206-S211 VanDerWaalsContact O-O 3.09Å; S209-S211 PolarHBondContact O-N 3.12Å; S209-S211 WeakPolarHBondContact OG-CB 3.28Å; S209-S211 PolarHBondContact OG-OG 3.3Å; S211-S213 PolarHBondContact O-N 2.58Å; S211-S213 PolarHBondContact OG-O 2.85Å; S211-V217 WeakPolarHBondContact OG-CG2 3.03Å; S211-C422 PolarHBondContact O-SG 3.17Å
212	P	93.7	Very high	92	Very high	26 Å²	26	18.2 Å²	18.2	17%	0.169	10%	0.1	C	C	.	.	S	Bend	trans	-66.1	-26.2	173.3	30.1	-36	0	0	0	111.4	E216 K400	P212-E216 HydrophobicContact CG-CG 4.14Å; P212-E216 WeakPolarHBondContact CG-OE1 3.44Å; P212-K400 WeakPolarHBondContact O-CE 3.41Å; P212-K400 PolarHBondContact O-NZ 3.21Å
213	S	94.4	Very high	91.3	Very high	26 Å²	26	18.7 Å²	18.7	18%	0.182	11%	0.107	C	C	.	.			trans	-159.9	146.9	174.2	176.9	0	0	0	0	108.7	S211 D215 E216	S211-S213 PolarHBondContact O-N 2.58Å; S211-S213 PolarHBondContact OG-O 2.85Å; S213-D215 PolarHBondContact O-N 3.43Å; S213-D215 VanDerWaalsContact O-N 3.08Å; S213-D215 WeakPolarHBondContact OG-CB 3.15Å; S213-D215 PolarHBondContact OG-N 3.42Å; S213-D215 VanDerWaalsContact OG-N 3.11Å; S213-E216 PolarHBondContact O-N 3.38Å
214	M	94.7	Very high	90.8	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-59.6	-17.9	168.9	-67.1	-51.7	-67.5	0	0	113	S167 V168 G169 L202 E205 S206 E216 V217 F222	S167-M214 PolarHBondContact OG-O 2.98Å; V168-M214 HydrophobicContact CB-CE 4.01Å; V168-M214 HydrophobicContact CG1-CE 3.56Å; G169-M214 WeakPolarHBondContact CA-O 3.34Å; G169-M214 PolarHBondContact N-O 3.25Å; L202-M214 HydrophobicContact CD2-CB 4.03Å; L202-M214 HydrophobicContact CD2-CG 4.13Å; E205-M214 HydrophobicContact CB-CE 4.08Å; E205-M214 HydrophobicContact CB-CG 3.7Å; E205-M214 HydrophobicContact CB-SD 3.58Å; E205-M214 VanDerWaalsContact CB-SD 3.58Å; S206-M214 PolarHBondContact OG-N 3.05Å; M214-E216 PolarHBondContact O-N 3.28Å; M214-V217 HydrophobicContact CE-CB 4.07Å; M214-V217 HydrophobicContact CE-CG1 4.24Å; M214-V217 HydrophobicContact CE-CG2 3.96Å; M214-V217 PolarHBondContact O-N 2.97Å; M214-V217 HydrophobicContact SD-CG2 3.86Å; M214-F222 HydrophobicContact CE-CE2 4.26Å
215	D	93.6	Very high	90.4	Very high	30 Å²	30	21.8 Å²	21.8	16%	0.16	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.1	172.4	-74.6	4.2	0	0	0	112.3	S167 G169 V170 R173 S213	S167-D215 WeakPolarHBondContact CB-O 3.3Å; S167-D215 WeakPolarHBondContact OG-CA 3.29Å; S167-D215 PolarHBondContact OG-O 3.15Å; G169-D215 WeakPolarHBondContact CA-OD1 3.44Å; V170-D215 PolarHBondContact N-OD1 2.73Å; R173-D215 IonicContact CZ-OD1 3.84Å; R173-D215 IonicContact NH2-OD1 3.72Å; R173-D215 PolarHBondContact NH2-OD1 2.96Å; R173-D215 IonicContact NH2-OD2 2.9Å; R173-D215 PolarHBondContact NH2-OD2 3.22Å; S213-D215 PolarHBondContact O-N 3.43Å; S213-D215 VanDerWaalsContact O-N 3.08Å; S213-D215 WeakPolarHBondContact OG-CB 3.15Å; S213-D215 PolarHBondContact OG-N 3.42Å; S213-D215 VanDerWaalsContact OG-N 3.11Å
216	E	93.9	Very high	89.9	Confident	56 Å²	56	23.9 Å²	23.9	26%	0.262	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-88.6	-7.7	178	-63.8	-164.2	-153.6	0	0	113.6	P212 S213 M214 F477 R479 V480	P212-E216 HydrophobicContact CG-CG 4.14Å; P212-E216 WeakPolarHBondContact CG-OE1 3.44Å; S213-E216 PolarHBondContact O-N 3.38Å; M214-E216 PolarHBondContact O-N 3.28Å; E216-F477 HydrophobicContact CB-CE2 4.09Å; E216-F477 HydrophobicContact CB-CZ 4.35Å; E216-R479 CarbonylContact O-C 3.56Å; E216-R479 WeakPolarHBondContact O-CA 3.39Å; E216-R479 IonicContact OE2-CZ 3.95Å; E216-R479 IonicContact OE2-NH1 3.28Å; E216-R479 PolarHBondContact OE2-NH1 2.82Å; E216-R479 IonicContact OE2-NH2 2.85Å; E216-V480 PolarHBondContact O-N 2.99Å
217	V	94.1	Very high	89.5	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.036	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-85.8	127.2	-177.9	-178.1	0	0	0	0	110	S167 V168 S211 M214 L219 F222 F477	S167-V217 WeakPolarHBondContact CA-O 3.4Å; V168-V217 HydrophobicContact CB-CB 4.25Å; V168-V217 HydrophobicContact CB-CG1 4.33Å; V168-V217 HydrophobicContact CG2-CB 4.21Å; V168-V217 HydrophobicContact CG2-CG1 3.82Å; V168-V217 PolarHBondContact N-O 3.13Å; S211-V217 WeakPolarHBondContact OG-CG2 3.03Å; M214-V217 HydrophobicContact CE-CB 4.07Å; M214-V217 HydrophobicContact CE-CG1 4.24Å; M214-V217 HydrophobicContact CE-CG2 3.96Å; M214-V217 PolarHBondContact O-N 2.97Å; M214-V217 HydrophobicContact SD-CG2 3.86Å; V217-L219 PolarHBondContact O-N 3.13Å; V217-F222 HydrophobicContact CG1-CD2 3.67Å; V217-F222 HydrophobicContact CG1-CE2 3.96Å; V217-F477 HydrophobicContact CG2-CD2 4.18Å
218	S	92.3	Very high	89.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-68.9	124.4	-178.3	-179.8	0	0	0	0	111.7	N166 S220 F222 T478	N166-S218 PolarHBondContact ND2-OG 3.32Å; N166-S218 WeakPolarHBondContact O-CA 3.5Å; S218-S220 PolarHBondContact OG-OG 3.16Å; S218-F222 WeakPolarHBondContact O-CB 2.95Å; S218-F222 PolarHBondContact O-N 2.98Å; S218-F222 VanDerWaalsContact O-N 3.17Å; S218-T478 PolarHBondContact N-O 3.2Å
219	L	89.7	Confident	89	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.168	C	C	.	.	S	Bend	trans	-70.6	-44	176.3	-178.9	63	0	0	0	112.1	T150 F153 N166 V168 F171 V217 E221 F222	T150-L219 HydrophobicContact CG2-CD1 3.99Å; F153-L219 HydrophobicContact CD2-CD1 4.05Å; F153-L219 HydrophobicContact CD2-CD2 4.38Å; F153-L219 HydrophobicContact CD2-CG 4.3Å; F153-L219 HydrophobicContact CE2-CD2 4.47Å; F153-L219 HydrophobicContact CG-CG 4.37Å; N166-L219 PolarHBondContact O-N 3.12Å; V168-L219 HydrophobicContact CG2-CB 4.26Å; V168-L219 HydrophobicContact CG2-CD1 4.11Å; F171-L219 HydrophobicContact CB-CD2 3.78Å; F171-L219 HydrophobicContact CD1-CD1 4.37Å; F171-L219 HydrophobicContact CD1-CD2 4.48Å; F171-L219 HydrophobicContact CD2-CD2 4.07Å; F171-L219 HydrophobicContact CG-CD2 3.84Å; V217-L219 PolarHBondContact O-N 3.13Å; L219-E221 PolarHBondContact O-N 3.42Å; L219-F222 PolarHBondContact O-N 3.48Å
220	S	86.1	Confident	88.6	Confident	34 Å²	34	31.1 Å²	31.1	24%	0.238	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.8	-177.8	59.9	0	0	0	0	113.3	F154 N166 S218	F154-S220 WeakPolarHBondContact CD2-O 3.34Å; N166-S220 PolarHBondContact ND2-OG 3.14Å; N166-S220 WeakPolarHBondContact OD1-CB 3.45Å; N166-S220 PolarHBondContact OD1-N 2.7Å; N166-S220 PolarHBondContact OD1-OG 3.47Å; S218-S220 PolarHBondContact OG-OG 3.16Å
221	E	87	Confident	88.1	Confident	37 Å²	37	33.5 Å²	33.5	17%	0.173	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-2.2	-177.5	-51.8	-67	135.1	0	0	112.7	L219 G223 E224 T478 S483 G484	L219-E221 PolarHBondContact O-N 3.42Å; E221-G223 VanDerWaalsContact C-N 3.3Å; E221-G223 PolarHBondContact O-N 3.41Å; E221-E224 WeakPolarHBondContact O-CB 3.32Å; E221-E224 PolarHBondContact O-N 2.67Å; E221-T478 HydrophobicContact CB-CG2 3.49Å; E221-T478 VanDerWaalsContact CB-CG2 3.49Å; E221-T478 HydrophobicContact CG-CG2 3.82Å; E221-S483 VanDerWaalsContact CD-CB 3.46Å; E221-S483 WeakPolarHBondContact OE2-CA 3.5Å; E221-S483 VanDerWaalsContact OE2-CB 3.31Å; E221-S483 WeakPolarHBondContact OE2-CB 3.3Å; E221-G484 PolarHBondContact OE2-N 2.71Å
222	F	84.1	Confident	87.5	Confident	28 Å²	28	34.9 Å²	34.9	12%	0.123	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-59.2	-40.5	-170	-169.4	-120.9	0	0	0	112.9	Y147 T150 Q151 V168 M214 V217 S218 L219 E224	Y147-F222 HydrophobicContact CE1-CE1 4.17Å; Y147-F222 HydrophobicContact CE1-CZ 4.44Å; Y147-F222 HydrophobicContact CE2-CE1 4.16Å; Y147-F222 HydrophobicContact CE2-CZ 4.01Å; Y147-F222 AromaticContact CZ-CE1 3.82Å; Y147-F222 AromaticContact CZ-CZ 3.7Å; Y147-F222 WeakPolarHBondContact OH-CZ 3.33Å; T150-F222 VanDerWaalsContact OG1-CD1 3.25Å; T150-F222 WeakPolarHBondContact OG1-CD1 3.46Å; T150-F222 VanDerWaalsContact OG1-CE1 3.27Å; T150-F222 WeakPolarHBondContact OG1-CE1 3.22Å; Q151-F222 HydrophobicContact CG-CD1 4.11Å; Q151-F222 HydrophobicContact CG-CE1 4.1Å; V168-F222 HydrophobicContact CG2-CB 3.9Å; V168-F222 HydrophobicContact CG2-CD1 4.27Å; V168-F222 HydrophobicContact CG2-CD2 3.7Å; V168-F222 HydrophobicContact CG2-CE2 4.27Å; V168-F222 HydrophobicContact CG2-CG 3.7Å; M214-F222 HydrophobicContact CE-CE2 4.26Å; V217-F222 HydrophobicContact CG1-CD2 3.67Å; V217-F222 HydrophobicContact CG1-CE2 3.96Å; S218-F222 WeakPolarHBondContact O-CB 2.95Å; S218-F222 PolarHBondContact O-N 2.98Å; S218-F222 VanDerWaalsContact O-N 3.17Å; L219-F222 PolarHBondContact O-N 3.48Å; F222-E224 PolarHBondContact O-N 2.57Å
223	G	80.4	Confident	87.1	Confident	20 Å²	20	35.7 Å²	35.7	21%	0.206	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-78.3	5.3	178.2	0	0	0	0	0	115.3	F154 E221	F154-G223 VanDerWaalsContact CD1-C 3.47Å; F154-G223 VanDerWaalsContact CD1-O 3.27Å; F154-G223 WeakPolarHBondContact CD1-O 3.36Å; E221-G223 VanDerWaalsContact C-N 3.3Å; E221-G223 PolarHBondContact O-N 3.41Å
224	E	83.9	Confident	86.8	Confident	9 Å²	9	35.4 Å²	35.4	4%	0.042	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-72.9	-32.6	176.9	-173.5	169.1	-120.4	0	0	112.4	F154 E221 F222 T226 G484 R516	F154-E224 HydrophobicContact CD2-CB 4.2Å; F154-E224 HydrophobicContact CE1-CB 4.43Å; F154-E224 HydrophobicContact CE2-CB 3.68Å; F154-E224 HydrophobicContact CE2-CG 4.16Å; F154-E224 HydrophobicContact CZ-CB 3.81Å; F154-E224 HydrophobicContact CZ-CG 4.01Å; E221-E224 WeakPolarHBondContact O-CB 3.32Å; E221-E224 PolarHBondContact O-N 2.67Å; F222-E224 PolarHBondContact O-N 2.57Å; E224-T226 PolarHBondContact O-N 3.2Å; E224-T226 PolarHBondContact O-OG1 3.48Å; E224-G484 WeakPolarHBondContact OE2-CA 3.48Å; E224-G484 PolarHBondContact OE2-N 3.32Å; E224-R516 HydrophobicContact CG-CG 4.39Å; E224-R516 IonicContact OE1-CZ 2.7Å; E224-R516 IonicContact OE1-NE 3.39Å; E224-R516 PolarHBondContact OE1-NE 3.4Å; E224-R516 IonicContact OE1-NH2 3.61Å; E224-R516 PolarHBondContact OE1-NH2 2.96Å
225	W	84.3	Confident	86.5	Confident	81 Å²	81	35.7 Å²	35.7	31%	0.307	20%	0.204	S	C	.	.	S	Bend	trans	-64	128.1	174.1	-173.7	90.2	0	0	0	109.7	E227 Y519 T521	W225-E227 HydrophobicContact CE3-CB 4.38Å; W225-E227 HydrophobicContact CH2-CB 3.91Å; W225-E227 HydrophobicContact CH2-CG 3.96Å; W225-E227 HydrophobicContact CZ3-CB 3.52Å; W225-E227 HydrophobicContact CZ3-CG 3.99Å; W225-Y519 HydrophobicContact CB-CE1 3.85Å; W225-Y519 AromaticContact CD1-CE1 3.89Å; W225-Y519 AromaticContact CD1-CE2 3.95Å; W225-Y519 AromaticContact CD1-CZ 3.79Å; W225-Y519 HydrophobicContact CG-CE1 4.3Å; W225-Y519 PolarHBondContact NE1-O 3.25Å; W225-T521 HydrophobicContact CZ2-CG2 4.47Å
226	T	84.3	Confident	86.3	Confident	56 Å²	56	35.1 Å²	35.1	34%	0.344	20%	0.202	S	C	.	.			trans	-109	115.9	-175.7	-54.5	0	0	0	0	110	E224 I228 K517 Y518	E224-T226 PolarHBondContact O-N 3.2Å; E224-T226 PolarHBondContact O-OG1 3.48Å; T226-I228 PolarHBondContact O-N 2.92Å; T226-K517 PolarHBondContact N-O 2.73Å; T226-Y518 HydrophobicContact CG2-CE1 4.32Å; T226-Y518 WeakPolarHBondContact O-CD1 3.47Å; T226-Y518 VanDerWaalsContact O-CE1 3.31Å; T226-Y518 WeakPolarHBondContact O-CE1 3.27Å
227	E	84.5	Confident	86.1	Confident	109 Å²	109	37 Å²	37	51%	0.509	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-68.6	130.5	169.5	-163.4	170	-168.2	0	0	110.3	W225 P229 H232	W225-E227 HydrophobicContact CE3-CB 4.38Å; W225-E227 HydrophobicContact CH2-CB 3.91Å; W225-E227 HydrophobicContact CH2-CG 3.96Å; W225-E227 HydrophobicContact CZ3-CB 3.52Å; W225-E227 HydrophobicContact CZ3-CG 3.99Å; E227-P229 WeakPolarHBondContact O-CD 3.46Å; E227-H232 IonicContact OE1-CE1 2.75Å; E227-H232 PolarHBondContact OE1-CE1 3.22Å; E227-H232 IonicContact OE1-NE2 2.61Å; E227-H232 PolarHBondContact OE1-NE2 3.38Å
228	I	87.3	Confident	86	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.036	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-75.9	126.8	169.8	-61	-179.9	0	0	0	107.9	G83 N85 N87 T226 Y518	G83-I228 VanDerWaalsContact CA-O 3.29Å; G83-I228 WeakPolarHBondContact CA-O 3.2Å; N85-I228 WeakPolarHBondContact O-CG2 3.39Å; N87-I228 HydrophobicContact CB-CD1 3.92Å; N87-I228 HydrophobicContact CB-CG2 4.15Å; T226-I228 PolarHBondContact O-N 2.92Å; I228-Y518 HydrophobicContact CD1-CE1 4.24Å; I228-Y518 HydrophobicContact CG1-CD1 4.46Å; I228-Y518 HydrophobicContact CG1-CE1 3.8Å
229	P	84.7	Confident	86.2	Confident	84 Å²	84	36.8 Å²	36.8	55%	0.545	21%	0.21	S	C	.	.	S	Bend	trans	-62.6	160.9	-179.1	-23.2	33.6	0	0	0	113.9	A84 N85 E227	A84-P229 PolarHBondContact N-O 2.84Å; N85-P229 HydrophobicContact CB-CB 4.25Å; N85-P229 VanDerWaalsContact CB-O 3.24Å; N85-P229 WeakPolarHBondContact CB-O 3.25Å; N85-P229 PolarHBondContact N-O 2.62Å; E227-P229 WeakPolarHBondContact O-CD 3.46Å
230	G	81	Confident	86.6	Confident	40 Å²	40	38.6 Å²	38.6	41%	0.412	22%	0.218	S	C	.	.	S	Bend	trans	100.9	175.5	177.3	0	0	0	0	0	112.8
231	A	81	Confident	87.1	Confident	50 Å²	50	40.1 Å²	40.1	41%	0.413	22%	0.221	S	C	.	.			trans	-66.1	151.6	-177.9	0	0	0	0	0	111.9	G83 A84 Y233	G83-A231 CarbonylContact C-O 3.52Å; G83-A231 WeakPolarHBondContact CA-O 3.46Å; A84-A231 PolarHBondContact N-O 2.96Å; A231-Y233 HydrophobicContact CB-CE2 3.75Å; A231-Y233 WeakPolarHBondContact O-CD2 3.34Å; A231-Y233 WeakPolarHBondContact O-CE2 3.18Å
232	H	83.6	Confident	87.6	Confident	30 Å²	30	38.4 Å²	38.4	14%	0.139	21%	0.213	C	C	.	.			trans	-87.6	149.7	168.7	-50.1	-42.5	0	0	0	110.4	I81 H82 G83 S108 E227	I81-H232 VanDerWaalsContact O-CA 3.24Å; I81-H232 WeakPolarHBondContact O-CA 3.35Å; H82-H232 WeakPolarHBondContact CA-ND1 3.3Å; G83-H232 PolarHBondContact N-ND1 2.81Å; G83-H232 VanDerWaalsContact N-ND1 3.14Å; S108-H232 PolarHBondContact OG-O 3Å; E227-H232 IonicContact OE1-CE1 2.75Å; E227-H232 PolarHBondContact OE1-CE1 3.22Å; E227-H232 IonicContact OE1-NE2 2.61Å; E227-H232 PolarHBondContact OE1-NE2 3.38Å
233	Y	84.8	Confident	88.3	Confident	43 Å²	43	37 Å²	37	17%	0.169	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.4	-177.9	-68.3	-96.6	0	0	0	111.2	W80 I81 A84 Y90 L99 A231	W80-Y233 CarbonylContact C-O 3.46Å; W80-Y233 WeakPolarHBondContact CA-O 3.45Å; I81-Y233 PolarHBondContact N-O 2.97Å; I81-Y233 PolarHBondContact O-N 2.95Å; A84-Y233 HydrophobicContact CB-CE2 3.93Å; Y90-Y233 AromaticContact CD2-CD2 3.72Å; Y90-Y233 HydrophobicContact CD2-CD2 3.72Å; Y90-Y233 AromaticContact CD2-CE2 3.95Å; Y90-Y233 HydrophobicContact CD2-CE2 3.95Å; Y90-Y233 HydrophobicContact CD2-CG 4.32Å; Y90-Y233 AromaticContact CE2-CD2 3.62Å; Y90-Y233 HydrophobicContact CE2-CD2 3.62Å; Y90-Y233 HydrophobicContact CE2-CE1 4.34Å; Y90-Y233 AromaticContact CE2-CE2 3.43Å; Y90-Y233 HydrophobicContact CE2-CE2 3.43Å; Y90-Y233 VanDerWaalsContact CE2-CE2 3.43Å; Y90-Y233 HydrophobicContact CE2-CG 4.19Å; Y90-Y233 AromaticContact CE2-CZ 3.8Å; L99-Y233 HydrophobicContact CB-CD1 4.48Å; L99-Y233 HydrophobicContact CD1-CD1 4.33Å; L99-Y233 HydrophobicContact CD1-CG 4.45Å; L99-Y233 HydrophobicContact CD2-CD1 4.49Å; L99-Y233 HydrophobicContact CD2-CG 4.42Å; A231-Y233 HydrophobicContact CB-CE2 3.75Å; A231-Y233 WeakPolarHBondContact O-CD2 3.34Å; A231-Y233 WeakPolarHBondContact O-CE2 3.18Å
234	V	86.8	Confident	89.1	Confident	19 Å²	19	39.8 Å²	39.8	12%	0.115	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	162.9	165.1	-59	0	0	0	0	109.1	T79 L114 P236	T79-V234 HydrophobicContact CG2-CG1 4.1Å; L114-V234 HydrophobicContact CD1-CG2 3.68Å; L114-V234 HydrophobicContact CD2-CG2 4.35Å; L114-V234 HydrophobicContact CG-CG1 4.43Å; L114-V234 HydrophobicContact CG-CG2 4.27Å; V234-P236 WeakPolarHBondContact O-CD 3.23Å
235	I	90.3	Very high	89.8	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.041	22%	0.22	C	C	.	.			trans	-108.2	104.5	172.9	-59.8	174.7	0	0	0	107.8	I81 A93 L98 L99 E237 G238 F239 K241 I242	I81-I235 HydrophobicContact CD1-CD1 4.11Å; I81-I235 HydrophobicContact CD1-CG1 4.11Å; A93-I235 HydrophobicContact CB-CD1 4.31Å; L98-I235 HydrophobicContact CB-CG2 4.09Å; L99-I235 HydrophobicContact CD2-CG1 4.39Å; I235-E237 PolarHBondContact O-N 3.21Å; I235-G238 VanDerWaalsContact CG2-O 3.28Å; I235-G238 WeakPolarHBondContact CG2-O 3.1Å; I235-G238 WeakPolarHBondContact O-CA 3.42Å; I235-G238 PolarHBondContact O-N 3.4Å; I235-F239 HydrophobicContact CD1-CD2 4.47Å; I235-F239 HydrophobicContact CD1-CG 4.48Å; I235-K241 HydrophobicContact CG2-CB 4.48Å; I235-I242 HydrophobicContact CD1-CD1 3.67Å; I235-I242 HydrophobicContact CD1-CG1 3.35Å
236	P	88	Confident	90.4	Very high	18 Å²	18	36.9 Å²	36.9	12%	0.117	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.4	-175.8	-25.9	32.5	0	0	0	114	T73 L98 E100 V234 G238	T73-P236 PolarHBondContact OG1-O 3.5Å; L98-P236 WeakPolarHBondContact O-CD 3.15Å; E100-P236 HydrophobicContact CB-CG 3.94Å; E100-P236 HydrophobicContact CG-CG 3.56Å; E100-P236 WeakPolarHBondContact OE1-CG 3.41Å; E100-P236 VanDerWaalsContact OE2-CG 3.26Å; E100-P236 WeakPolarHBondContact OE2-CG 3.41Å; V234-P236 WeakPolarHBondContact O-CD 3.23Å; P236-G238 PolarHBondContact O-N 3.36Å
237	E	89.1	Confident	91	Very high	97 Å²	97	35 Å²	35	45%	0.453	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.6	179.1	-71.9	-170	-124.8	0	0	114.2	K68 T73 I235 K241	K68-E237 PolarHBondContact NZ-O 3.27Å; K68-E237 VanDerWaalsContact NZ-O 3.11Å; T73-E237 PolarHBondContact OG1-O 3.11Å; I235-E237 PolarHBondContact O-N 3.21Å; E237-K241 HydrophobicContact CB-CG 4.14Å; E237-K241 WeakPolarHBondContact OE2-CE 2.99Å; E237-K241 IonicContact OE2-NZ 3.97Å; E237-K241 PolarHBondContact OE2-NZ 3.17Å
238	G	93.1	Very high	91.6	Very high	1 Å²	1	35 Å²	35	1%	0.01	20%	0.197	C	C	.	.			trans	119	141.2	-179.3	0	0	0	0	0	114.1	E75 I235 P236 M240 K241	E75-G238 WeakPolarHBondContact OE1-CA 3.28Å; I235-G238 VanDerWaalsContact CG2-O 3.28Å; I235-G238 WeakPolarHBondContact CG2-O 3.1Å; I235-G238 WeakPolarHBondContact O-CA 3.42Å; I235-G238 PolarHBondContact O-N 3.4Å; P236-G238 PolarHBondContact O-N 3.36Å; G238-M240 PolarHBondContact O-N 3.25Å; G238-K241 WeakPolarHBondContact O-CB 3.36Å; G238-K241 VanDerWaalsContact O-CG 3.26Å; G238-K241 WeakPolarHBondContact O-CG 3.42Å; G238-K241 PolarHBondContact O-N 3.41Å
239	F	96.1	Very high	91.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.1	177	-142	-69.4	0	0	0	112.2	V64 S66 E75 A78 W80 I81 V89 I235 K241 I242 T522	V64-F239 HydrophobicContact CG1-CB 3.85Å; V64-F239 HydrophobicContact CG1-CD1 3.93Å; V64-F239 HydrophobicContact CG1-CG 4.27Å; V64-F239 HydrophobicContact CG2-CD1 4.42Å; S66-F239 PolarHBondContact OG-N 2.92Å; E75-F239 PolarHBondContact OE1-N 3.36Å; A78-F239 HydrophobicContact CB-CD1 4.46Å; A78-F239 HydrophobicContact CB-CD2 4.48Å; A78-F239 HydrophobicContact CB-CG 4.42Å; A78-F239 WeakPolarHBondContact O-CB 3.44Å; W80-F239 WeakPolarHBondContact O-CE2 3.3Å; I81-F239 HydrophobicContact CG1-CE2 3.79Å; I81-F239 HydrophobicContact CG1-CZ 3.81Å; V89-F239 HydrophobicContact CG1-CE1 4Å; V89-F239 HydrophobicContact CG1-CZ 3.9Å; I235-F239 HydrophobicContact CD1-CD2 4.47Å; I235-F239 HydrophobicContact CD1-CG 4.48Å; F239-K241 PolarHBondContact O-N 2.92Å; F239-K241 VanDerWaalsContact O-N 3.08Å; F239-I242 HydrophobicContact CD1-CB 4.23Å; F239-I242 HydrophobicContact CD1-CG1 4.09Å; F239-I242 HydrophobicContact CE1-CB 4.29Å; F239-I242 HydrophobicContact CE1-CG1 4.01Å; F239-I242 WeakPolarHBondContact O-CB 3.35Å; F239-I242 PolarHBondContact O-N 2.67Å; F239-T522 HydrophobicContact CE1-CG2 3.86Å; F239-T522 HydrophobicContact CZ-CG2 4.15Å
240	M	97.4	Very high	92.4	Very high	39 Å²	39	35.6 Å²	35.6	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-53.6	-24.8	169.3	-80.4	-58.4	-61.1	0	0	113.6	V64 S66 G238 I242 V243 D244	V64-M240 HydrophobicContact CB-SD 4.46Å; V64-M240 HydrophobicContact CG1-CG 4.46Å; V64-M240 HydrophobicContact CG1-SD 4.02Å; S66-M240 WeakPolarHBondContact OG-CG 3.48Å; S66-M240 PolarHBondContact OG-N 3.44Å; S66-M240 VanDerWaalsContact OG-N 3.1Å; G238-M240 PolarHBondContact O-N 3.25Å; M240-I242 PolarHBondContact O-N 3.42Å; M240-V243 HydrophobicContact CE-CB 3.94Å; M240-V243 HydrophobicContact CE-CG1 3.95Å; M240-V243 HydrophobicContact CE-CG2 4.27Å; M240-V243 WeakPolarHBondContact O-CA 3.45Å; M240-V243 VanDerWaalsContact O-CB 3.27Å; M240-V243 WeakPolarHBondContact O-CB 3.41Å; M240-V243 PolarHBondContact O-N 3.22Å; M240-V243 HydrophobicContact SD-CB 4.17Å; M240-V243 HydrophobicContact SD-CG2 3.85Å; M240-D244 PolarHBondContact O-N 3.04Å
241	K	97.4	Very high	93.2	Very high	67 Å²	67	36 Å²	36	29%	0.291	19%	0.191	S	C	.	.	H	α-helix	trans	-58.9	-32.9	173.6	-65.7	-67.9	-171.3	151.9	0	113.1	L98 I235 E237 G238 F239 V243 D244 L245	L98-K241 HydrophobicContact CD1-CB 3.62Å; L98-K241 HydrophobicContact CD2-CB 4.18Å; L98-K241 HydrophobicContact CD2-CG 4.3Å; I235-K241 HydrophobicContact CG2-CB 4.48Å; E237-K241 HydrophobicContact CB-CG 4.14Å; E237-K241 WeakPolarHBondContact OE2-CE 2.99Å; E237-K241 IonicContact OE2-NZ 3.97Å; E237-K241 PolarHBondContact OE2-NZ 3.17Å; G238-K241 WeakPolarHBondContact O-CB 3.36Å; G238-K241 VanDerWaalsContact O-CG 3.26Å; G238-K241 WeakPolarHBondContact O-CG 3.42Å; G238-K241 PolarHBondContact O-N 3.41Å; F239-K241 PolarHBondContact O-N 2.92Å; F239-K241 VanDerWaalsContact O-N 3.08Å; K241-V243 VanDerWaalsContact C-N 3.34Å; K241-D244 PolarHBondContact O-N 3.01Å; K241-L245 WeakPolarHBondContact O-CB 3.36Å; K241-L245 VanDerWaalsContact O-CG 3.24Å; K241-L245 WeakPolarHBondContact O-CG 3.44Å; K241-L245 PolarHBondContact O-N 2.73Å
242	I	98.1	Very high	93.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-40.6	173.9	-62.4	-58.5	0	0	0	110.9	L34 V89 L92 A93 L98 I235 F239 M240 D244 L245 L246	L34-I242 HydrophobicContact CD2-CG2 4.48Å; V89-I242 HydrophobicContact CG1-CD1 4.2Å; V89-I242 HydrophobicContact CG1-CG1 4.1Å; V89-I242 HydrophobicContact CG1-CG2 4.16Å; L92-I242 HydrophobicContact CD2-CD1 4.36Å; L92-I242 HydrophobicContact CD2-CG2 4.07Å; L92-I242 HydrophobicContact CG-CD1 4.3Å; A93-I242 HydrophobicContact CB-CD1 3.98Å; L98-I242 HydrophobicContact CD1-CD1 4.2Å; I235-I242 HydrophobicContact CD1-CD1 3.67Å; I235-I242 HydrophobicContact CD1-CG1 3.35Å; F239-I242 HydrophobicContact CD1-CB 4.23Å; F239-I242 HydrophobicContact CD1-CG1 4.09Å; F239-I242 HydrophobicContact CE1-CB 4.29Å; F239-I242 HydrophobicContact CE1-CG1 4.01Å; F239-I242 WeakPolarHBondContact O-CB 3.35Å; F239-I242 PolarHBondContact O-N 2.67Å; M240-I242 PolarHBondContact O-N 3.42Å; I242-D244 VanDerWaalsContact C-N 3.35Å; I242-L245 PolarHBondContact O-N 3.3Å; I242-L246 HydrophobicContact CG2-CD1 4.39Å; I242-L246 WeakPolarHBondContact O-CG 3.29Å; I242-L246 PolarHBondContact O-N 2.85Å
243	V	98.1	Very high	94.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-46.8	176.4	-176.4	0	0	0	0	109.7	L34 L37 I60 V64 M240 K241 L245 L246 A247	L34-V243 HydrophobicContact CD1-CG2 3.78Å; L37-V243 HydrophobicContact CD1-CG1 3.6Å; I60-V243 HydrophobicContact CB-CG1 4.22Å; I60-V243 HydrophobicContact CD1-CG1 3.71Å; I60-V243 HydrophobicContact CG1-CG1 3.68Å; V64-V243 HydrophobicContact CB-CG2 3.9Å; V64-V243 HydrophobicContact CG1-CG2 3.77Å; V64-V243 HydrophobicContact CG2-CG2 4.5Å; M240-V243 HydrophobicContact CE-CB 3.94Å; M240-V243 HydrophobicContact CE-CG1 3.95Å; M240-V243 HydrophobicContact CE-CG2 4.27Å; M240-V243 WeakPolarHBondContact O-CA 3.45Å; M240-V243 VanDerWaalsContact O-CB 3.27Å; M240-V243 WeakPolarHBondContact O-CB 3.41Å; M240-V243 PolarHBondContact O-N 3.22Å; M240-V243 HydrophobicContact SD-CB 4.17Å; M240-V243 HydrophobicContact SD-CG2 3.85Å; K241-V243 VanDerWaalsContact C-N 3.34Å; V243-L245 PolarHBondContact O-N 3.29Å; V243-L246 PolarHBondContact O-N 3.02Å; V243-A247 WeakPolarHBondContact O-CB 3.29Å; V243-A247 PolarHBondContact O-N 3.19Å
244	D	97.8	Very high	94.9	Very high	78 Å²	78	47.2 Å²	47.2	42%	0.417	24%	0.237	S	C	.	.	H	α-helix	trans	-59.1	-46.3	177.6	-63.2	-27	0	0	0	111.5	M240 K241 I242 L246 A247 Q248	M240-D244 PolarHBondContact O-N 3.04Å; K241-D244 PolarHBondContact O-N 3.01Å; I242-D244 VanDerWaalsContact C-N 3.35Å; D244-L246 VanDerWaalsContact C-N 3.32Å; D244-L246 PolarHBondContact O-N 3.4Å; D244-A247 CarbonylContact O-C 3.6Å; D244-A247 PolarHBondContact O-N 3.34Å; D244-A247 VanDerWaalsContact O-N 3.13Å; D244-Q248 WeakPolarHBondContact O-CB 3.31Å; D244-Q248 PolarHBondContact O-N 2.93Å
245	L	97.8	Very high	95.5	Very high	21 Å²	21	47.8 Å²	47.8	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-35.7	177.7	-73.2	174	0	0	0	113	L92 N96 L98 K241 I242 V243 Q248	L92-L245 HydrophobicContact CD1-CB 4.21Å; L92-L245 HydrophobicContact CD1-CD1 4.1Å; L92-L245 HydrophobicContact CD2-CB 4.27Å; L92-L245 HydrophobicContact CG-CB 4.35Å; L92-L245 HydrophobicContact CG-CD1 3.95Å; N96-L245 HydrophobicContact CB-CD1 3.77Å; N96-L245 HydrophobicContact CB-CD2 4.23Å; N96-L245 WeakPolarHBondContact OD1-CD2 3.47Å; L98-L245 HydrophobicContact CD1-CD1 3.58Å; K241-L245 WeakPolarHBondContact O-CB 3.36Å; K241-L245 VanDerWaalsContact O-CG 3.24Å; K241-L245 WeakPolarHBondContact O-CG 3.44Å; K241-L245 PolarHBondContact O-N 2.73Å; I242-L245 PolarHBondContact O-N 3.3Å; V243-L245 PolarHBondContact O-N 3.29Å; L245-Q248 WeakPolarHBondContact O-CG 3.49Å
246	L	97.1	Very high	95.9	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-68.7	-38.5	174.3	-70.6	173.5	0	0	0	111.3	L34 L37 L92 I242 V243 D244 L526	L34-L246 HydrophobicContact CB-CD1 4.45Å; L34-L246 HydrophobicContact CG-CD1 3.97Å; L37-L246 HydrophobicContact CB-CB 4.01Å; L37-L246 HydrophobicContact CD1-CB 4.42Å; L92-L246 HydrophobicContact CD2-CD2 4.06Å; L92-L246 HydrophobicContact CD2-CG 4.18Å; I242-L246 HydrophobicContact CG2-CD1 4.39Å; I242-L246 WeakPolarHBondContact O-CG 3.29Å; I242-L246 PolarHBondContact O-N 2.85Å; V243-L246 PolarHBondContact O-N 3.02Å; D244-L246 VanDerWaalsContact C-N 3.32Å; D244-L246 PolarHBondContact O-N 3.4Å; L246-L526 HydrophobicContact CD1-CD1 4.45Å; L246-L526 HydrophobicContact CD2-CD1 4.31Å
247	A	97.7	Very high	96.4	Very high	15 Å²	15	52.3 Å²	52.3	12%	0.124	27%	0.265	C	S	.	.	H	α-helix	trans	-81.4	-20.7	-177.7	0	0	0	0	0	114.6	L37 I60 V243 D244 D249 I250	L37-A247 HydrophobicContact CD2-CB 4.31Å; I60-A247 HydrophobicContact CD1-CB 3.61Å; V243-A247 WeakPolarHBondContact O-CB 3.29Å; V243-A247 PolarHBondContact O-N 3.19Å; D244-A247 CarbonylContact O-C 3.6Å; D244-A247 PolarHBondContact O-N 3.34Å; D244-A247 VanDerWaalsContact O-N 3.13Å; A247-D249 PolarHBondContact O-N 2.86Å; A247-I250 WeakPolarHBondContact O-CB 3.34Å; A247-I250 PolarHBondContact O-N 2.82Å
248	Q	95.7	Very high	96.8	Very high	110 Å²	110	51.6 Å²	51.6	51%	0.514	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.1	-168.5	77.5	-174.6	11.2	0	0	114.9	D244 L245	D244-Q248 WeakPolarHBondContact O-CB 3.31Å; D244-Q248 PolarHBondContact O-N 2.93Å; L245-Q248 WeakPolarHBondContact O-CG 3.49Å
249	D	92.6	Very high	97.1	Very high	92 Å²	92	52.2 Å²	52.2	49%	0.492	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4.6	-177.4	-56.9	-52.9	0	0	0	112.3	R41 A247	R41-D249 IonicContact CZ-OD2 3.37Å; R41-D249 IonicContact NH1-OD2 3.22Å; R41-D249 PolarHBondContact NH1-OD2 3.37Å; R41-D249 IonicContact NH2-OD2 2.8Å; R41-D249 PolarHBondContact NH2-OD2 3.18Å; A247-D249 PolarHBondContact O-N 2.86Å
250	I	97.8	Very high	97.2	Very high	12 Å²	12	53 Å²	53	6%	0.062	28%	0.277	C	S	.	.	S	Bend	trans	-88.9	120.1	175.4	-57.7	178.5	0	0	0	107.4	L37 T40 L44 A247 T252 T254 I255	L37-I250 HydrophobicContact CD2-CD1 3.9Å; T40-I250 HydrophobicContact CG2-CD1 3.8Å; T40-I250 HydrophobicContact CG2-CG1 4.19Å; T40-I250 HydrophobicContact CG2-CG2 3.94Å; L44-I250 HydrophobicContact CD1-CB 4.4Å; L44-I250 HydrophobicContact CD1-CG1 4.3Å; L44-I250 HydrophobicContact CD1-CG2 4.09Å; A247-I250 WeakPolarHBondContact O-CB 3.34Å; A247-I250 PolarHBondContact O-N 2.82Å; I250-T252 PolarHBondContact O-N 3.38Å; I250-T254 HydrophobicContact CG2-CG2 3.71Å; I250-I255 HydrophobicContact CB-CD1 4.44Å; I250-I255 HydrophobicContact CG2-CD1 3.96Å; I250-I255 HydrophobicContact CG2-CG1 3.92Å
251	P	97.1	Very high	97.2	Very high	49 Å²	49	52.3 Å²	52.3	32%	0.318	28%	0.275	S	S	.	.			trans	-55.9	134.2	176.7	-24.9	34.5	0	0	0	110.9	R253 T254	P251-R253 HydrophobicContact CB-CG 4.18Å; P251-R253 PolarHBondContact O-N 3.09Å; P251-T254 WeakPolarHBondContact O-CA 3.42Å; P251-T254 WeakPolarHBondContact O-CB 3.46Å; P251-T254 PolarHBondContact O-N 2.97Å
252	T	92.8	Very high	97.2	Very high	129 Å²	129	55.5 Å²	55.5	79%	0.791	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-54.5	-35.4	-176.3	-46.1	0	0	0	0	113	I250 T254 I255	I250-T252 PolarHBondContact O-N 3.38Å; T252-T254 PolarHBondContact O-N 2.85Å; T252-T254 VanDerWaalsContact O-N 3.16Å; T252-I255 PolarHBondContact O-N 3.27Å; T252-I255 VanDerWaalsContact O-N 3.12Å
253	R	95.3	Very high	97.2	Very high	216 Å²	216	56 Å²	56	82%	0.815	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-63.8	-16.3	176.2	67.2	172.1	178.9	-102.1	-2.4	114.8	P251	P251-R253 HydrophobicContact CB-CG 4.18Å; P251-R253 PolarHBondContact O-N 3.09Å
254	T	97.9	Very high	97.2	Very high	13 Å²	13	56 Å²	56	8%	0.08	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-77.9	-24	177	-68.7	0	0	0	0	111	T40 V51 T52 V53 I250 P251 T252	T40-T254 HydrophobicContact CG2-CG2 3.89Å; V51-T254 VanDerWaalsContact O-CG2 3.29Å; V51-T254 WeakPolarHBondContact O-CG2 3.45Å; T52-T254 CarbonylContact C-O 3.43Å; V53-T254 HydrophobicContact CG2-CG2 4.07Å; V53-T254 PolarHBondContact N-O 2.93Å; I250-T254 HydrophobicContact CG2-CG2 3.71Å; P251-T254 WeakPolarHBondContact O-CA 3.42Å; P251-T254 WeakPolarHBondContact O-CB 3.46Å; P251-T254 PolarHBondContact O-N 2.97Å; T252-T254 PolarHBondContact O-N 2.85Å; T252-T254 VanDerWaalsContact O-N 3.16Å
255	I	98.4	Very high	97.1	Very high	30 Å²	30	53.7 Å²	53.7	15%	0.154	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.2	-178.4	-53.8	176.5	0	0	0	109.8	A32 L37 V53 I60 I250 T252 L257	A32-I255 HydrophobicContact CB-CG2 4.27Å; L37-I255 HydrophobicContact CD2-CD1 3.89Å; V53-I255 HydrophobicContact CB-CB 4.48Å; V53-I255 HydrophobicContact CB-CG1 4.17Å; V53-I255 HydrophobicContact CB-CG2 4.46Å; V53-I255 HydrophobicContact CG2-CG1 4.25Å; I60-I255 HydrophobicContact CG2-CD1 4.39Å; I60-I255 HydrophobicContact CG2-CG2 4.09Å; I250-I255 HydrophobicContact CB-CD1 4.44Å; I250-I255 HydrophobicContact CG2-CD1 3.96Å; I250-I255 HydrophobicContact CG2-CG1 3.92Å; T252-I255 PolarHBondContact O-N 3.27Å; T252-I255 VanDerWaalsContact O-N 3.12Å; I255-L257 HydrophobicContact CG2-CD2 4Å; I255-L257 HydrophobicContact CG2-CG 4.42Å
256	C	98.5	Very high	96.9	Very high	46 Å²	46	53.6 Å²	53.6	31%	0.311	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	104.4	173.7	-60	0	0	0	0	109.1	V53 L54 E55 K259	V53-C256 PolarHBondContact O-N 3.36Å; L54-C256 HydrophobicContact CD2-CB 4.09Å; E55-C256 PolarHBondContact N-O 3.05Å; C256-K259 HydrophobicContact CB-CB 4.04Å; C256-K259 HydrophobicContact CB-CG 4.1Å; C256-K259 WeakPolarHBondContact O-CB 3.48Å
257	L	98.6	Very high	96.3	Very high	76 Å²	76	54.8 Å²	54.8	40%	0.398	28%	0.28	S	S	.	.	S	Bend	trans	-79	164.2	172.6	-58.7	174.7	0	0	0	110.8	E55 I60 I255 K259	E55-L257 HydrophobicContact CB-CD2 3.9Å; E55-L257 HydrophobicContact CG-CD2 3.74Å; E55-L257 CarbonylContact O-C 3.6Å; I60-L257 HydrophobicContact CG2-CD2 3.93Å; I255-L257 HydrophobicContact CG2-CD2 4Å; I255-L257 HydrophobicContact CG2-CG 4.42Å; L257-K259 PolarHBondContact O-N 3.35Å
258	C	98.2	Very high	95.2	Very high	81 Å²	81	55.2 Å²	55.2	55%	0.547	28%	0.279	S	S	.	.	S	Bend	trans	53.2	35.2	-177.4	-56.9	0	0	0	0	112.7	E55 A56 S57 P260	E55-C258 PolarHBondContact O-N 2.9Å; A56-C258 WeakPolarHBondContact O-CA 3.48Å; S57-C258 PolarHBondContact O-N 3.21Å; C258-P260 VanDerWaalsContact O-CD 3.25Å; C258-P260 WeakPolarHBondContact O-CD 3.25Å
259	K	98.4	Very high	94	Very high	15 Å²	15	50.2 Å²	50.2	7%	0.065	26%	0.256	C	S	.	.			trans	-122	65.1	-171.6	-162.5	57.5	162.2	175.1	0	111.3	L54 E55 C256 L257 V261 C310 D312 E314	L54-K259 HydrophobicContact CB-CG 4.33Å; L54-K259 HydrophobicContact CD2-CG 3.76Å; E55-K259 PolarHBondContact O-N 2.93Å; C256-K259 HydrophobicContact CB-CB 4.04Å; C256-K259 HydrophobicContact CB-CG 4.1Å; C256-K259 WeakPolarHBondContact O-CB 3.48Å; L257-K259 PolarHBondContact O-N 3.35Å; K259-V261 PolarHBondContact O-N 3.1Å; K259-C310 HydrophobicContact CD-CB 4.18Å; K259-D312 IonicContact NZ-OD1 3.49Å; K259-D312 PolarHBondContact NZ-OD1 3.27Å; K259-D312 IonicContact NZ-OD2 2.75Å; K259-D312 PolarHBondContact NZ-OD2 3.32Å; K259-E314 VanDerWaalsContact CE-OE2 3.3Å; K259-E314 WeakPolarHBondContact CE-OE2 3.26Å; K259-E314 VanDerWaalsContact NZ-CB 3.35Å; K259-E314 IonicContact NZ-OE2 3.35Å; K259-E314 PolarHBondContact NZ-OE2 3.29Å
260	P	98.2	Very high	92.5	Very high	16 Å²	16	47.3 Å²	47.3	10%	0.104	25%	0.245	C	C	.	.			trans	-64.7	133	179.9	27.7	-34.8	0	0	0	111.2	A56 C258 C310 E311 Y470	A56-P260 HydrophobicContact CB-CB 3.96Å; C258-P260 VanDerWaalsContact O-CD 3.25Å; C258-P260 WeakPolarHBondContact O-CD 3.25Å; P260-C310 CarbonylContact O-C 3.54Å; P260-C310 WeakPolarHBondContact O-CA 3.38Å; P260-E311 HydrophobicContact CB-CG 3.92Å; P260-E311 HydrophobicContact CG-CB 3.89Å; P260-E311 HydrophobicContact CG-CG 3.77Å; P260-E311 WeakPolarHBondContact CG-OE2 3.46Å; P260-E311 PolarHBondContact O-N 2.51Å; P260-Y470 HydrophobicContact CB-CE1 3.99Å
261	V	98.4	Very high	90.8	Very high	24 Å²	24	49.9 Å²	49.9	15%	0.145	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.7	176.6	173.7	0	0	0	0	109.7	I30 L54 K259 I264 V308	I30-V261 HydrophobicContact CD1-CB 4.41Å; I30-V261 HydrophobicContact CD1-CG1 4.05Å; I30-V261 HydrophobicContact CD1-CG2 4.12Å; I30-V261 HydrophobicContact CG1-CG2 4.09Å; I30-V261 HydrophobicContact CG2-CB 4.28Å; I30-V261 HydrophobicContact CG2-CG2 3.99Å; L54-V261 HydrophobicContact CB-CG2 4.04Å; L54-V261 HydrophobicContact CD1-CG2 3.6Å; L54-V261 HydrophobicContact CG-CG2 4.49Å; K259-V261 PolarHBondContact O-N 3.1Å; V261-I264 HydrophobicContact CG1-CG1 4.19Å; V261-V308 HydrophobicContact CB-CG1 4.38Å; V261-V308 HydrophobicContact CG1-CG1 3.65Å; V261-V308 HydrophobicContact CG2-CG1 3.8Å
262	R	97.5	Very high	89.1	Confident	135 Å²	135	49.9 Å²	49.9	51%	0.509	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-48.9	178.7	-172.2	168.4	82.2	90.9	-13.6	112.1	E309 E311	R262-E309 WeakPolarHBondContact CA-O 3.38Å; R262-E309 HydrophobicContact CB-CG 4.33Å; R262-E309 WeakPolarHBondContact CB-O 2.86Å; R262-E309 IonicContact CZ-OE1 2.97Å; R262-E309 VanDerWaalsContact CZ-OE1 3.23Å; R262-E309 IonicContact CZ-OE2 2.7Å; R262-E309 PolarHBondContact N-O 3.16Å; R262-E309 VanDerWaalsContact NE-CD 3.29Å; R262-E309 IonicContact NE-OE1 3.19Å; R262-E309 PolarHBondContact NE-OE1 3.15Å; R262-E309 IonicContact NE-OE2 3.93Å; R262-E309 PolarHBondContact NE-OE2 3.07Å; R262-E309 IonicContact NH1-OE2 3.74Å; R262-E309 IonicContact NH2-OE1 3.92Å; R262-E309 PolarHBondContact NH2-OE1 3.45Å; R262-E309 IonicContact NH2-OE2 3.94Å; R262-E309 PolarHBondContact NH2-OE2 2.71Å; R262-E311 HydrophobicContact CB-CG 4.19Å
263	C	98.1	Very high	87.4	Confident	11 Å²	11	52.1 Å²	52.1	7%	0.074	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	140.7	-176.8	-165.9	0	0	0	0	112.1	E309 A336 M337	C263-E309 HydrophobicContact CB-CB 4.38Å; C263-E309 PolarHBondContact N-O 3.5Å; C263-E309 VanDerWaalsContact N-O 3.13Å; C263-E309 PolarHBondContact O-N 3.22Å; C263-A336 PolarHBondContact SG-O 3.42Å; C263-M337 CarbonylContact C-O 3.51Å; C263-M337 WeakPolarHBondContact CA-O 3.4Å
264	I	98.3	Very high	85.7	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	106	172.6	-57.6	160.7	0	0	0	107.3	I30 V261 W266 I306 V321 V323 M337 F338 S339 V507	I30-I264 HydrophobicContact CD1-CD1 3.43Å; I30-I264 VanDerWaalsContact CD1-CD1 3.43Å; I30-I264 HydrophobicContact CD1-CG1 3.73Å; V261-I264 HydrophobicContact CG1-CG1 4.19Å; I264-W266 PolarHBondContact O-N 2.81Å; I264-I306 HydrophobicContact CG2-CG2 3.94Å; I264-V321 HydrophobicContact CD1-CG1 4.25Å; I264-V321 HydrophobicContact CG2-CG2 4.33Å; I264-V323 HydrophobicContact CD1-CG2 3.73Å; I264-M337 HydrophobicContact CD1-CE 4.04Å; I264-M337 PolarHBondContact N-O 2.98Å; I264-F338 HydrophobicContact CB-CD1 4.2Å; I264-F338 HydrophobicContact CB-CE1 4.48Å; I264-F338 HydrophobicContact CD1-CD1 4.04Å; I264-F338 HydrophobicContact CD1-CE1 3.51Å; I264-F338 HydrophobicContact CD1-CZ 4.02Å; I264-S339 PolarHBondContact O-N 2.78Å; I264-V507 HydrophobicContact CG2-CG2 4.37Å
265	H	95.8	Very high	83.7	Confident	28 Å²	28	52.2 Å²	52.2	13%	0.13	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	93.3	176.6	-57.8	-91.3	0	0	0	109	Y268 I306 L307 E309 W315 S339	H265-Y268 HydrophobicContact CB-CD2 3.93Å; H265-Y268 HydrophobicContact CB-CE2 4.47Å; H265-I306 CarbonylContact O-C 3.39Å; H265-I306 VanDerWaalsContact O-CA 3.25Å; H265-I306 WeakPolarHBondContact O-CA 3.48Å; H265-I306 WeakPolarHBondContact O-CG2 3.35Å; H265-L307 WeakPolarHBondContact CA-O 3.4Å; H265-L307 HydrophobicContact CB-CB 4.25Å; H265-L307 WeakPolarHBondContact CB-O 3.28Å; H265-L307 PolarHBondContact N-O 3.34Å; H265-L307 PolarHBondContact O-N 3.26Å; H265-E309 IonicContact CE1-OE2 3.94Å; H265-E309 IonicContact NE2-OE2 3.14Å; H265-E309 PolarHBondContact NE2-OE2 3.14Å; H265-E309 VanDerWaalsContact NE2-OE2 3.14Å; H265-W315 AromaticContact CD2-CH2 3.74Å; H265-W315 AromaticContact CD2-CZ3 3.28Å; H265-W315 WeakPolarHBondContact CD2-CZ3 3.38Å; H265-W315 AromaticContact CE1-CH2 3.77Å; H265-W315 AromaticContact CG-CZ3 3.92Å; H265-W315 AromaticContact NE2-CH2 3.25Å; H265-W315 VanDerWaalsContact NE2-CH2 3.25Å; H265-W315 WeakPolarHBondContact NE2-CH2 3.41Å; H265-W315 AromaticContact NE2-CZ3 3.36Å; H265-W315 WeakPolarHBondContact NE2-CZ3 3.5Å; H265-S339 CarbonylContact C-O 3.28Å; H265-S339 WeakPolarHBondContact CA-O 3.21Å
266	W	92.6	Very high	81.7	Confident	20 Å²	20	56 Å²	56	8%	0.076	28%	0.281	C	S	.	.			trans	-103	165.6	-179.5	68.4	-72.7	0	0	0	111.3	I264 Y268 I306 S339 P340 L494 P495 V507	I264-W266 PolarHBondContact O-N 2.81Å; W266-Y268 PolarHBondContact O-N 3.32Å; W266-Y268 VanDerWaalsContact O-N 3.13Å; W266-I306 HydrophobicContact CB-CG1 4.44Å; W266-S339 VanDerWaalsContact CD1-O 3.23Å; W266-S339 PolarHBondContact N-O 2.81Å; W266-P340 HydrophobicContact CD2-CG 4.44Å; W266-P340 HydrophobicContact CZ2-CG 3.87Å; W266-P340 PolarHBondContact NE1-O 3.13Å; W266-P340 WeakPolarHBondContact O-CD 3.44Å; W266-L494 HydrophobicContact CE3-CB 4.35Å; W266-L494 HydrophobicContact CH2-CB 4.24Å; W266-L494 HydrophobicContact CH2-CD1 4.17Å; W266-L494 HydrophobicContact CZ2-CD1 4.07Å; W266-L494 HydrophobicContact CZ3-CB 3.99Å; W266-P495 HydrophobicContact CZ3-CB 4.15Å; W266-V507 HydrophobicContact CB-CG2 3.65Å; W266-V507 HydrophobicContact CD2-CG2 4.19Å; W266-V507 HydrophobicContact CG-CG2 3.78Å
267	N	84.8	Confident	79.4	Confident	32 Å²	32	56.4 Å²	56.4	17%	0.171	29%	0.293	C	S	.	.	S	Bend	trans	55.4	24.4	-168.3	-159.1	29.9	0	0	0	113.2	A270 Q271 P305 A502	N267-A270 PolarHBondContact O-N 3.43Å; N267-A270 WeakPolarHBondContact OD1-CB 3.31Å; N267-Q271 WeakPolarHBondContact O-CG 3.46Å; N267-Q271 PolarHBondContact O-N 3.05Å; N267-Q271 VanDerWaalsContact O-N 3.14Å; N267-P305 PolarHBondContact N-O 2.71Å; N267-A502 WeakPolarHBondContact OD1-CB 3.45Å
268	Y	73.4	Confident	76.9	Confident	24 Å²	24	61.2 Å²	61.2	9%	0.094	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-51	-165.4	-172.4	-98.4	0	0	0	112.3	H265 W266 A270 Q271 H272 P305 L307	H265-Y268 HydrophobicContact CB-CD2 3.93Å; H265-Y268 HydrophobicContact CB-CE2 4.47Å; W266-Y268 PolarHBondContact O-N 3.32Å; W266-Y268 VanDerWaalsContact O-N 3.13Å; Y268-A270 PolarHBondContact O-N 2.7Å; Y268-Q271 PolarHBondContact O-N 3.1Å; Y268-H272 AromaticContact CD1-CD2 3.74Å; Y268-H272 AromaticContact CE1-CD2 3.28Å; Y268-H272 WeakPolarHBondContact CE1-CD2 3.31Å; Y268-H272 AromaticContact CE1-NE2 3.39Å; Y268-H272 WeakPolarHBondContact CE1-NE2 3.27Å; Y268-H272 AromaticContact CE2-CD2 3.87Å; Y268-H272 AromaticContact CE2-NE2 3.61Å; Y268-H272 AromaticContact CZ-CD2 3.38Å; Y268-H272 AromaticContact CZ-NE2 3.02Å; Y268-H272 PolarHBondContact O-N 3.22Å; Y268-H272 VanDerWaalsContact O-N 3.11Å; Y268-H272 PolarHBondContact OH-NE2 3.03Å; Y268-P305 WeakPolarHBondContact CB-O 3.31Å; Y268-P305 PolarHBondContact N-O 3.19Å; Y268-L307 HydrophobicContact CD1-CD1 3.7Å; Y268-L307 HydrophobicContact CD1-CG 4.23Å; Y268-L307 HydrophobicContact CD2-CD1 4.08Å; Y268-L307 HydrophobicContact CE1-CD1 3.27Å; Y268-L307 HydrophobicContact CE1-CG 4.25Å; Y268-L307 HydrophobicContact CE2-CD1 3.68Å; Y268-L307 HydrophobicContact CG-CD1 4.07Å; Y268-L307 HydrophobicContact CG-CG 4.46Å
269	S	71.1	Confident	74.2	Confident	6 Å²	6	59.9 Å²	59.9	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-21.1	178.5	65.7	0	0	0	0	114.1	R273 Q304	S269-R273 VanDerWaalsContact O-CG 3.27Å; S269-R273 WeakPolarHBondContact O-CG 3.42Å; S269-R273 PolarHBondContact O-N 3.44Å; S269-R273 PolarHBondContact O-NE 3.4Å; S269-Q304 WeakPolarHBondContact CB-O 3.23Å; S269-Q304 PolarHBondContact N-O 2.93Å
270	A	61.6	Low	71.4	Confident	30 Å²	30	63.4 Å²	63.4	25%	0.248	34%	0.337	C	S	.	.	H	α-helix	trans	-78.6	-42.4	174.3	0	0	0	0	0	111.4	N267 Y268 H272 R273 E274	N267-A270 PolarHBondContact O-N 3.43Å; N267-A270 WeakPolarHBondContact OD1-CB 3.31Å; Y268-A270 PolarHBondContact O-N 2.7Å; A270-H272 PolarHBondContact O-N 3.38Å; A270-R273 PolarHBondContact O-N 2.87Å; A270-E274 PolarHBondContact O-N 2.74Å; A270-E274 VanDerWaalsContact O-N 3.16Å
271	Q	63	Low	68.5	Low	67 Å²	67	72.1 Å²	72.1	31%	0.313	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-44.7	176.1	-69.2	176	-3.1	0	0	111.7	N267 Y268 R273 E274 V275 P340	N267-Q271 WeakPolarHBondContact O-CG 3.46Å; N267-Q271 PolarHBondContact O-N 3.05Å; N267-Q271 VanDerWaalsContact O-N 3.14Å; Y268-Q271 PolarHBondContact O-N 3.1Å; Q271-R273 PolarHBondContact O-N 3.46Å; Q271-E274 PolarHBondContact O-N 3.32Å; Q271-V275 WeakPolarHBondContact O-CG2 3.25Å; Q271-V275 PolarHBondContact O-N 2.93Å; Q271-V275 VanDerWaalsContact O-N 3.13Å; Q271-P340 VanDerWaalsContact NE2-CD 3.33Å
272	H	59.8	Low	65.4	Low	48 Å²	48	77.2 Å²	77.2	22%	0.222	41%	0.407	C	S	.	.	H	α-helix	trans	-65.3	-37.3	177.6	-88.9	-76.3	0	0	0	113.6	Y268 A270 E274 V275 I276	Y268-H272 AromaticContact CD1-CD2 3.74Å; Y268-H272 AromaticContact CE1-CD2 3.28Å; Y268-H272 WeakPolarHBondContact CE1-CD2 3.31Å; Y268-H272 AromaticContact CE1-NE2 3.39Å; Y268-H272 WeakPolarHBondContact CE1-NE2 3.27Å; Y268-H272 AromaticContact CE2-CD2 3.87Å; Y268-H272 AromaticContact CE2-NE2 3.61Å; Y268-H272 AromaticContact CZ-CD2 3.38Å; Y268-H272 AromaticContact CZ-NE2 3.02Å; Y268-H272 PolarHBondContact O-N 3.22Å; Y268-H272 VanDerWaalsContact O-N 3.11Å; Y268-H272 PolarHBondContact OH-NE2 3.03Å; A270-H272 PolarHBondContact O-N 3.38Å; H272-E274 VanDerWaalsContact C-N 3.32Å; H272-E274 PolarHBondContact O-N 3.26Å; H272-V275 PolarHBondContact O-N 3.45Å; H272-I276 WeakPolarHBondContact O-CG1 3.33Å; H272-I276 PolarHBondContact O-N 3.47Å
273	R	58.7	Low	62.2	Low	176 Å²	176	80.1 Å²	80.1	66%	0.664	42%	0.423	S	S	*	.	H	α-helix	trans	-64.8	-35.5	174.8	-76.1	-180	-137.6	-174	4.4	112.5	S269 A270 Q271 G277	S269-R273 VanDerWaalsContact O-CG 3.27Å; S269-R273 WeakPolarHBondContact O-CG 3.42Å; S269-R273 PolarHBondContact O-N 3.44Å; S269-R273 PolarHBondContact O-NE 3.4Å; A270-R273 PolarHBondContact O-N 2.87Å; Q271-R273 PolarHBondContact O-N 3.46Å; R273-G277 PolarHBondContact O-N 2.9Å
274	E	57.8	Low	58.9	Low	130 Å²	130	88.3 Å²	88.3	61%	0.607	46%	0.463	S	S	*	.	H	α-helix	trans	-68.8	-37	174.6	-72.5	-170.2	179.5	0	0	112.6	A270 Q271 H272 G277 K278	A270-E274 PolarHBondContact O-N 2.74Å; A270-E274 VanDerWaalsContact O-N 3.16Å; Q271-E274 PolarHBondContact O-N 3.32Å; H272-E274 VanDerWaalsContact C-N 3.32Å; H272-E274 PolarHBondContact O-N 3.26Å; E274-G277 PolarHBondContact O-N 3.48Å; E274-K278 WeakPolarHBondContact O-CG 3.2Å; E274-K278 PolarHBondContact O-N 3.13Å; E274-K278 VanDerWaalsContact O-N 3.08Å
275	V	57.7	Low	55.6	Low	101 Å²	101	97 Å²	97	61%	0.612	50%	0.504	S	S	*	.	H	α-helix	trans	-66	-46.1	175.8	174.3	0	0	0	0	111	Q271 H272 K278 G279	Q271-V275 WeakPolarHBondContact O-CG2 3.25Å; Q271-V275 PolarHBondContact O-N 2.93Å; Q271-V275 VanDerWaalsContact O-N 3.13Å; H272-V275 PolarHBondContact O-N 3.45Å; V275-K278 PolarHBondContact O-N 3.36Å; V275-G279 PolarHBondContact O-N 3.24Å
276	I	56.2	Low	52.8	Low	109 Å²	109	103 Å²	103	56%	0.559	54%	0.536	S	S	*	.	H	α-helix	trans	-65.7	-39.9	176.7	-64	169	0	0	0	110.9	H272 K278 G279	H272-I276 WeakPolarHBondContact O-CG1 3.33Å; H272-I276 PolarHBondContact O-N 3.47Å; I276-K278 VanDerWaalsContact C-N 3.29Å; I276-K278 PolarHBondContact O-N 2.7Å; I276-G279 PolarHBondContact O-N 2.79Å; I276-G279 VanDerWaalsContact O-N 3.14Å
277	G	48.7	Very low	49.8	Very low	56 Å²	56	110 Å²	110	58%	0.577	58%	0.576	S	S	*	*	H	α-helix	trans	-67.7	-22.7	178.3	0	0	0	0	0	114.8	R273 E274	R273-G277 PolarHBondContact O-N 2.9Å; E274-G277 PolarHBondContact O-N 3.48Å
278	K	46.8	Very low	47.6	Very low	177 Å²	177	117.3 Å²	117.3	77%	0.77	61%	0.608	S	S	*	*	H	α-helix	trans	-90.8	-8.2	172.8	-72.9	176.6	-179.5	169	0	113.4	E274 V275 I276	E274-K278 WeakPolarHBondContact O-CG 3.2Å; E274-K278 PolarHBondContact O-N 3.13Å; E274-K278 VanDerWaalsContact O-N 3.08Å; V275-K278 PolarHBondContact O-N 3.36Å; I276-K278 VanDerWaalsContact C-N 3.29Å; I276-K278 PolarHBondContact O-N 2.7Å
279	G	41.4	Very low	45.8	Very low	52 Å²	52	123.3 Å²	123.3	54%	0.536	64%	0.642	S	S	.	*			trans	-92	-5.8	-175	0	0	0	0	0	116.7	V275 I276 H281	V275-G279 PolarHBondContact O-N 3.24Å; I276-G279 PolarHBondContact O-N 2.79Å; I276-G279 VanDerWaalsContact O-N 3.14Å; G279-H281 PolarHBondContact O-N 3.09Å
280	S	39.8	Very low	44	Very low	89 Å²	89	130.8 Å²	130.8	62%	0.622	68%	0.681	S	S	*	*	S	Bend	trans	-97.4	57.8	-177.1	54.6	0	0	0	0	113.3
281	H	37.3	Very low	42.6	Very low	199 Å²	199	137.7 Å²	137.7	92%	0.921	71%	0.714	S	S	*	*			trans	-165.6	64.3	156	-89.2	-44.3	0	0	0	110.5	G279	G279-H281 PolarHBondContact O-N 3.09Å
282	V	32.8	Very low	41.2	Very low	132 Å²	132	141.5 Å²	141.5	80%	0.8	74%	0.736	S	S	*	*			trans	-117.3	113.5	159.4	-177.4	0	0	0	0	106.7	M284	V282-M284 PolarHBondContact O-N 3.22Å
283	K	30.4	Very low	40	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	77%	0.767	S	S	*	*			trans	-56.1	127	169.2	-78.9	-179.7	174.4	179.9	0	107.5	E285	K283-E285 PolarHBondContact O-N 3.44Å; K283-E285 VanDerWaalsContact O-N 3.1Å
284	M	29.2	Very low	38.9	Very low	183 Å²	183	148.3 Å²	148.3	90%	0.901	78%	0.776	S	S	*	*			trans	-60.6	111.5	165.8	-70.1	-164.4	177.5	0	0	108.3	V282	V282-M284 PolarHBondContact O-N 3.22Å
285	E	29.1	Very low	38.2	Very low	184 Å²	184	151.9 Å²	151.9	86%	0.86	78%	0.783	S	S	*	*			trans	-109.7	118.7	149.8	-80.6	-173.7	170.6	0	0	106.5	K283 N287	K283-E285 PolarHBondContact O-N 3.44Å; K283-E285 VanDerWaalsContact O-N 3.1Å; E285-N287 PolarHBondContact O-N 3.29Å
286	D	36.3	Very low	37.3	Very low	152 Å²	152	154.9 Å²	154.9	81%	0.813	80%	0.796	S	S	*	*			trans	-56.9	117.4	175.3	-71.5	-46.9	0	0	0	109.9
287	N	29.7	Very low	36.8	Very low	169 Å²	169	154.4 Å²	154.4	90%	0.904	79%	0.791	S	S	*	*			trans	-146.9	121.5	150.5	-102.7	-27.2	0	0	0	110.7	E285	E285-N287 PolarHBondContact O-N 3.29Å
288	H	39.4	Very low	36.8	Very low	185 Å²	185	155.6 Å²	155.6	86%	0.856	79%	0.785	S	S	*	*			trans	-61.6	154.7	177.5	-81.8	-55.7	0	0	0	113.1
289	N	36.1	Very low	36.9	Very low	150 Å²	150	152.4 Å²	152.4	80%	0.802	78%	0.782	S	S	*	*			trans	80.2	93.9	170.8	-71.5	-5.5	0	0	0	116.8
290	D	31.4	Very low	37.3	Very low	162 Å²	162	155.9 Å²	155.9	87%	0.866	79%	0.788	S	S	*	*				-154.8	127.6	116.2	-103.8	-26	0	0	0	111	N292	D290-N292 VanDerWaalsContact C-N 3.32Å; D290-N292 PolarHBondContact O-N 2.95Å
291	N	32.2	Very low	38.2	Very low	175 Å²	175	153.9 Å²	153.9	94%	0.936	77%	0.769	S	S	*	*			trans	-71.2	86.9	174.8	-82	-31.7	0	0	0	109
292	N	33.9	Very low	39.1	Very low	147 Å²	147	148 Å²	148	79%	0.786	74%	0.744	S	S	*	*			trans	-98.5	124.5	165.5	-129.9	-5.9	0	0	0	108.6	D290 Q294	D290-N292 VanDerWaalsContact C-N 3.32Å; D290-N292 PolarHBondContact O-N 2.95Å; N292-Q294 VanDerWaalsContact C-N 3.25Å; N292-Q294 PolarHBondContact O-N 3.44Å
293	H	35.8	Very low	40.7	Very low	187 Å²	187	144 Å²	144	87%	0.866	73%	0.73	S	S	*	*			trans	-61.9	87.7	170.6	-78.7	-28.9	0	0	0	109.7	R295	H293-R295 VanDerWaalsContact C-N 3.3Å; H293-R295 PolarHBondContact O-N 2.88Å
294	Q	35.8	Very low	42.9	Very low	181 Å²	181	135.3 Å²	135.3	85%	0.846	69%	0.693	S	S	*	*			trans	-64.6	96.1	159.8	-102.5	156.8	-22.7	0	0	107.3	N292 N296	N292-Q294 VanDerWaalsContact C-N 3.25Å; N292-Q294 PolarHBondContact O-N 3.44Å; Q294-N296 PolarHBondContact O-N 3.34Å; Q294-N296 VanDerWaalsContact O-N 3.1Å
295	R	43	Very low	45.6	Very low	204 Å²	204	127 Å²	127	77%	0.77	65%	0.652	S	S	*	*			trans	-56.6	113.2	162.3	-82.7	-178	173	-172.9	-3.2	106.3	H293 E297	H293-R295 VanDerWaalsContact C-N 3.3Å; H293-R295 PolarHBondContact O-N 2.88Å; R295-E297 PolarHBondContact O-N 2.96Å
296	N	37.3	Very low	48.8	Very low	165 Å²	165	118.2 Å²	118.2	88%	0.882	61%	0.611	S	S	*	*			trans	-63.6	89.1	165.4	-83.1	-22.5	0	0	0	107.4	Q294	Q294-N296 PolarHBondContact O-N 3.34Å; Q294-N296 VanDerWaalsContact O-N 3.1Å
297	E	47.6	Very low	51.6	Low	98 Å²	98	111.1 Å²	111.1	46%	0.458	57%	0.573	S	S	.	*			trans	-66.8	130.6	173.5	-68.5	-177.8	173.3	0	0	109.1	R295 L302	R295-E297 PolarHBondContact O-N 2.96Å; E297-L302 HydrophobicContact CB-CD1 4.35Å
298	D	47.4	Very low	54.8	Low	81 Å²	81	103 Å²	103	43%	0.433	53%	0.53	S	S	.	.			trans	-57	126.3	-178.7	-171.7	-24	0	0	0	109.9	L300 I301	D298-L300 PolarHBondContact O-N 3.1Å; D298-L300 WeakPolarHBondContact OD1-CB 3.24Å; D298-L300 PolarHBondContact OD1-N 2.69Å; D298-L300 VanDerWaalsContact OD1-N 3.09Å; D298-I301 HydrophobicContact CB-CD1 3.96Å; D298-I301 HydrophobicContact CB-CG1 4.14Å; D298-I301 WeakPolarHBondContact O-CB 3.05Å; D298-I301 PolarHBondContact O-N 3.29Å
299	P	48.3	Very low	57.6	Low	110 Å²	110	94.8 Å²	94.8	71%	0.714	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-22.7	177.9	-25.9	32.3	0	0	0	114.5	I301	P299-I301 VanDerWaalsContact C-N 3.31Å
300	L	51.5	Low	60.5	Low	126 Å²	126	87.6 Å²	87.6	66%	0.66	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.4	173.9	-73.5	162.7	0	0	0	113.6	D298	D298-L300 PolarHBondContact O-N 3.1Å; D298-L300 WeakPolarHBondContact OD1-CB 3.24Å; D298-L300 PolarHBondContact OD1-N 2.69Å; D298-L300 VanDerWaalsContact OD1-N 3.09Å
301	I	57.7	Low	63.7	Low	46 Å²	46	85.1 Å²	85.1	24%	0.236	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-35	179.1	-65	174.3	0	0	0	110.7	D298 P299 G303 Q304 L307	D298-I301 HydrophobicContact CB-CD1 3.96Å; D298-I301 HydrophobicContact CB-CG1 4.14Å; D298-I301 WeakPolarHBondContact O-CB 3.05Å; D298-I301 PolarHBondContact O-N 3.29Å; P299-I301 VanDerWaalsContact C-N 3.31Å; I301-G303 PolarHBondContact O-N 3.4Å; I301-G303 VanDerWaalsContact O-N 3.1Å; I301-Q304 PolarHBondContact O-N 3.07Å; I301-L307 HydrophobicContact CG2-CD1 3.65Å; I301-L307 HydrophobicContact CG2-CD2 3.83Å; I301-L307 HydrophobicContact CG2-CG 4.33Å
302	L	56.1	Low	66.7	Low	75 Å²	75	81.2 Å²	81.2	39%	0.393	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17	-176.5	-113	82	0	0	0	114.7	E297	E297-L302 HydrophobicContact CB-CD1 4.35Å
303	G	65.8	Low	69.5	Low	49 Å²	49	81.4 Å²	81.4	51%	0.505	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-10.2	-175.2	0	0	0	0	0	116	I301	I301-G303 PolarHBondContact O-N 3.4Å; I301-G303 VanDerWaalsContact O-N 3.1Å
304	Q	77.6	Confident	72.4	Confident	12 Å²	12	77.1 Å²	77.1	6%	0.056	39%	0.393	C	S	.	.			trans	-89.3	139.1	-170	-67.2	-80.6	-65.7	0	0	111.5	S269 I301 I306 P317	S269-Q304 WeakPolarHBondContact CB-O 3.23Å; S269-Q304 PolarHBondContact N-O 2.93Å; I301-Q304 PolarHBondContact O-N 3.07Å; Q304-I306 PolarHBondContact O-N 3.44Å; Q304-P317 HydrophobicContact CB-CB 4.07Å; Q304-P317 HydrophobicContact CG-CB 3.68Å
305	P	86.7	Confident	75.2	Confident	9 Å²	9	73 Å²	73	6%	0.058	37%	0.369	C	S	.	.	S	Bend	trans	-69.8	-22.1	-179.9	29.3	-34.2	0	0	0	112.6	N267 Y268 A318 P503 Q506	N267-P305 PolarHBondContact N-O 2.71Å; Y268-P305 WeakPolarHBondContact CB-O 3.31Å; Y268-P305 PolarHBondContact N-O 3.19Å; P305-A318 WeakPolarHBondContact CD-O 3.32Å; P305-P503 HydrophobicContact CB-CG 4.15Å; P305-Q506 HydrophobicContact CB-CG 4.24Å
306	I	94.3	Very high	77.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.6	-176.9	-47.3	167.9	0	0	0	111	I264 H265 W266 Q304 V308 A318 D319 V321 Q506	I264-I306 HydrophobicContact CG2-CG2 3.94Å; H265-I306 CarbonylContact O-C 3.39Å; H265-I306 VanDerWaalsContact O-CA 3.25Å; H265-I306 WeakPolarHBondContact O-CA 3.48Å; H265-I306 WeakPolarHBondContact O-CG2 3.35Å; W266-I306 HydrophobicContact CB-CG1 4.44Å; Q304-I306 PolarHBondContact O-N 3.44Å; I306-V308 HydrophobicContact CG2-CG2 4.36Å; I306-A318 HydrophobicContact CB-CB 4.29Å; I306-A318 WeakPolarHBondContact CB-O 3.45Å; I306-A318 PolarHBondContact N-O 3.22Å; I306-A318 PolarHBondContact O-N 2.89Å; I306-D319 WeakPolarHBondContact CD1-O 3.4Å; I306-V321 HydrophobicContact CB-CG2 4.47Å; I306-V321 HydrophobicContact CD1-CB 4.4Å; I306-V321 HydrophobicContact CD1-CG2 3.91Å; I306-V321 HydrophobicContact CG2-CG2 3.66Å; I306-Q506 HydrophobicContact CD1-CB 3.69Å; I306-Q506 HydrophobicContact CD1-CG 4.26Å; I306-Q506 WeakPolarHBondContact CD1-O 3.49Å; I306-Q506 HydrophobicContact CG1-CB 4.01Å; I306-Q506 HydrophobicContact CG1-CG 4.25Å
307	L	95.6	Very high	80.4	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.7	161.6	-69.7	166	0	0	0	110.2	H265 Y268 I301 W315 P317	H265-L307 WeakPolarHBondContact CA-O 3.4Å; H265-L307 HydrophobicContact CB-CB 4.25Å; H265-L307 WeakPolarHBondContact CB-O 3.28Å; H265-L307 PolarHBondContact N-O 3.34Å; H265-L307 PolarHBondContact O-N 3.26Å; Y268-L307 HydrophobicContact CD1-CD1 3.7Å; Y268-L307 HydrophobicContact CD1-CG 4.23Å; Y268-L307 HydrophobicContact CD2-CD1 4.08Å; Y268-L307 HydrophobicContact CE1-CD1 3.27Å; Y268-L307 HydrophobicContact CE1-CG 4.25Å; Y268-L307 HydrophobicContact CE2-CD1 3.68Å; Y268-L307 HydrophobicContact CG-CD1 4.07Å; Y268-L307 HydrophobicContact CG-CG 4.46Å; I301-L307 HydrophobicContact CG2-CD1 3.65Å; I301-L307 HydrophobicContact CG2-CD2 3.83Å; I301-L307 HydrophobicContact CG2-CG 4.33Å; L307-W315 HydrophobicContact CB-CE3 3.9Å; L307-W315 HydrophobicContact CB-CZ3 4.28Å; L307-W315 HydrophobicContact CD1-CE3 4.04Å; L307-W315 HydrophobicContact CD1-CZ3 4.32Å; L307-W315 HydrophobicContact CG-CE3 4.5Å; L307-P317 HydrophobicContact CD2-CB 3.88Å; L307-P317 HydrophobicContact CD2-CG 4.14Å
308	V	97.8	Very high	82.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.6	174.9	-177.9	0	0	0	0	108.6	V28 L54 V261 I306 W315 I316 V321	V28-V308 HydrophobicContact CB-CG2 4.35Å; V28-V308 HydrophobicContact CG1-CG2 4.13Å; L54-V308 HydrophobicContact CD1-CG1 3.78Å; V261-V308 HydrophobicContact CB-CG1 4.38Å; V261-V308 HydrophobicContact CG1-CG1 3.65Å; V261-V308 HydrophobicContact CG2-CG1 3.8Å; I306-V308 HydrophobicContact CG2-CG2 4.36Å; V308-W315 WeakPolarHBondContact O-CA 3.13Å; V308-I316 HydrophobicContact CB-CB 4.41Å; V308-I316 PolarHBondContact N-O 3.02Å; V308-I316 PolarHBondContact O-N 2.98Å; V308-V321 HydrophobicContact CG2-CG2 3.59Å
309	E	97.7	Very high	84.9	Confident	11 Å²	11	50.3 Å²	50.3	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.8	177.5	178.5	169.3	-148.3	0	0	110.4	R262 C263 H265 W315	R262-E309 WeakPolarHBondContact CA-O 3.38Å; R262-E309 HydrophobicContact CB-CG 4.33Å; R262-E309 WeakPolarHBondContact CB-O 2.86Å; R262-E309 IonicContact CZ-OE1 2.97Å; R262-E309 VanDerWaalsContact CZ-OE1 3.23Å; R262-E309 IonicContact CZ-OE2 2.7Å; R262-E309 PolarHBondContact N-O 3.16Å; R262-E309 VanDerWaalsContact NE-CD 3.29Å; R262-E309 IonicContact NE-OE1 3.19Å; R262-E309 PolarHBondContact NE-OE1 3.15Å; R262-E309 IonicContact NE-OE2 3.93Å; R262-E309 PolarHBondContact NE-OE2 3.07Å; R262-E309 IonicContact NH1-OE2 3.74Å; R262-E309 IonicContact NH2-OE1 3.92Å; R262-E309 PolarHBondContact NH2-OE1 3.45Å; R262-E309 IonicContact NH2-OE2 3.94Å; R262-E309 PolarHBondContact NH2-OE2 2.71Å; C263-E309 HydrophobicContact CB-CB 4.38Å; C263-E309 PolarHBondContact N-O 3.5Å; C263-E309 VanDerWaalsContact N-O 3.13Å; C263-E309 PolarHBondContact O-N 3.22Å; H265-E309 IonicContact CE1-OE2 3.94Å; H265-E309 IonicContact NE2-OE2 3.14Å; H265-E309 PolarHBondContact NE2-OE2 3.14Å; H265-E309 VanDerWaalsContact NE2-OE2 3.14Å; E309-W315 HydrophobicContact CB-CD2 4.16Å; E309-W315 HydrophobicContact CB-CE3 4.19Å; E309-W315 HydrophobicContact CB-CH2 4.26Å; E309-W315 HydrophobicContact CB-CZ2 4.24Å; E309-W315 HydrophobicContact CB-CZ3 4.24Å; E309-W315 HydrophobicContact CG-CD2 4.29Å; E309-W315 HydrophobicContact CG-CH2 4.39Å; E309-W315 HydrophobicContact CG-CZ2 3.93Å; E309-W315 VanDerWaalsContact OE1-CE2 3.3Å; E309-W315 WeakPolarHBondContact OE1-CZ2 3.19Å; E309-W315 PolarHBondContact OE1-NE1 3.01Å; E309-W315 WeakPolarHBondContact OE2-CZ2 3.39Å
310	C	98	Very high	87.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	162	176.7	-58.4	0	0	0	0	111.3	K259 P260 D312 E313 E314	K259-C310 HydrophobicContact CD-CB 4.18Å; P260-C310 CarbonylContact O-C 3.54Å; P260-C310 WeakPolarHBondContact O-CA 3.38Å; C310-D312 WeakPolarHBondContact CB-OD1 3.19Å; C310-D312 PolarHBondContact O-N 2.84Å; C310-E313 PolarHBondContact O-N 2.94Å; C310-E314 HydrophobicContact CB-CB 4.47Å; C310-E314 PolarHBondContact N-O 3.45Å
311	E	96.8	Very high	89.5	Confident	109 Å²	109	39.5 Å²	39.5	51%	0.509	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.8	178.9	-60.7	-175.9	166.6	0	0	113.3	P260 R262 E313	P260-E311 HydrophobicContact CB-CG 3.92Å; P260-E311 HydrophobicContact CG-CB 3.89Å; P260-E311 HydrophobicContact CG-CG 3.77Å; P260-E311 WeakPolarHBondContact CG-OE2 3.46Å; P260-E311 PolarHBondContact O-N 2.51Å; R262-E311 HydrophobicContact CB-CG 4.19Å; E311-E313 PolarHBondContact O-N 3.1Å
312	D	95.8	Very high	91.4	Very high	93 Å²	93	37.3 Å²	37.3	50%	0.497	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	19.1	174.5	67.9	-9.2	0	0	0	113.5	K259 C310 E314	K259-D312 IonicContact NZ-OD1 3.49Å; K259-D312 PolarHBondContact NZ-OD1 3.27Å; K259-D312 IonicContact NZ-OD2 2.75Å; K259-D312 PolarHBondContact NZ-OD2 3.32Å; C310-D312 WeakPolarHBondContact CB-OD1 3.19Å; C310-D312 PolarHBondContact O-N 2.84Å; D312-E314 PolarHBondContact O-N 3.47Å; D312-E314 WeakPolarHBondContact OD1-CB 3.5Å; D312-E314 PolarHBondContact OD1-N 2.8Å
313	E	93.3	Very high	93.5	Very high	151 Å²	151	33.8 Å²	33.8	71%	0.706	17%	0.174	S	C	*	.	S	Bend	trans	65.2	10	178.8	-49.8	-175.9	168.6	0	0	114.8	C310 E311	C310-E313 PolarHBondContact O-N 2.94Å; E311-E313 PolarHBondContact O-N 3.1Å
314	E	95.6	Very high	95	Very high	98 Å²	98	32.2 Å²	32.2	46%	0.458	16%	0.155	S	C	.	.			trans	-75.2	137.4	170.7	-169.6	177	169	0	0	111.4	K259 C310 D312 I316	K259-E314 VanDerWaalsContact CE-OE2 3.3Å; K259-E314 WeakPolarHBondContact CE-OE2 3.26Å; K259-E314 VanDerWaalsContact NZ-CB 3.35Å; K259-E314 IonicContact NZ-OE2 3.35Å; K259-E314 PolarHBondContact NZ-OE2 3.29Å; C310-E314 HydrophobicContact CB-CB 4.47Å; C310-E314 PolarHBondContact N-O 3.45Å; D312-E314 PolarHBondContact O-N 3.47Å; D312-E314 WeakPolarHBondContact OD1-CB 3.5Å; D312-E314 PolarHBondContact OD1-N 2.8Å; E314-I316 HydrophobicContact CG-CG1 4.2Å
315	W	95.1	Very high	96	Very high	94 Å²	94	33.1 Å²	33.1	36%	0.356	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.6	176.4	-68.4	70.6	0	0	0	110.2	H265 L307 V308 E309	H265-W315 AromaticContact CD2-CH2 3.74Å; H265-W315 AromaticContact CD2-CZ3 3.28Å; H265-W315 WeakPolarHBondContact CD2-CZ3 3.38Å; H265-W315 AromaticContact CE1-CH2 3.77Å; H265-W315 AromaticContact CG-CZ3 3.92Å; H265-W315 AromaticContact NE2-CH2 3.25Å; H265-W315 VanDerWaalsContact NE2-CH2 3.25Å; H265-W315 WeakPolarHBondContact NE2-CH2 3.41Å; H265-W315 AromaticContact NE2-CZ3 3.36Å; H265-W315 WeakPolarHBondContact NE2-CZ3 3.5Å; L307-W315 HydrophobicContact CB-CE3 3.9Å; L307-W315 HydrophobicContact CB-CZ3 4.28Å; L307-W315 HydrophobicContact CD1-CE3 4.04Å; L307-W315 HydrophobicContact CD1-CZ3 4.32Å; L307-W315 HydrophobicContact CG-CE3 4.5Å; V308-W315 WeakPolarHBondContact O-CA 3.13Å; E309-W315 HydrophobicContact CB-CD2 4.16Å; E309-W315 HydrophobicContact CB-CE3 4.19Å; E309-W315 HydrophobicContact CB-CH2 4.26Å; E309-W315 HydrophobicContact CB-CZ2 4.24Å; E309-W315 HydrophobicContact CB-CZ3 4.24Å; E309-W315 HydrophobicContact CG-CD2 4.29Å; E309-W315 HydrophobicContact CG-CH2 4.39Å; E309-W315 HydrophobicContact CG-CZ2 3.93Å; E309-W315 VanDerWaalsContact OE1-CE2 3.3Å; E309-W315 WeakPolarHBondContact OE1-CZ2 3.19Å; E309-W315 PolarHBondContact OE1-NE1 3.01Å; E309-W315 WeakPolarHBondContact OE2-CZ2 3.39Å
316	I	95.8	Very high	96.5	Very high	18 Å²	18	33 Å²	33	9%	0.092	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	111.7	-176.5	-57.9	174	0	0	0	108.4	V28 L54 V308 E314	V28-I316 HydrophobicContact CG2-CG2 3.82Å; L54-I316 HydrophobicContact CD1-CD1 3.88Å; L54-I316 HydrophobicContact CD2-CD1 3.6Å; L54-I316 HydrophobicContact CG-CD1 4.39Å; V308-I316 HydrophobicContact CB-CB 4.41Å; V308-I316 PolarHBondContact N-O 3.02Å; V308-I316 PolarHBondContact O-N 2.98Å; E314-I316 HydrophobicContact CG-CG1 4.2Å
317	P	94.9	Very high	96.7	Very high	22 Å²	22	33.1 Å²	33.1	14%	0.143	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	149.4	174.5	-4.5	17.5	0	0	0	110.5	R26 Q304 L307	R26-P317 WeakPolarHBondContact CD-O 3.2Å; R26-P317 VanDerWaalsContact NH1-CG 3.29Å; Q304-P317 HydrophobicContact CB-CB 4.07Å; Q304-P317 HydrophobicContact CG-CB 3.68Å; L307-P317 HydrophobicContact CD2-CB 3.88Å; L307-P317 HydrophobicContact CD2-CG 4.14Å
318	A	95.2	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	153.9	174.5	0	0	0	0	0	112	V28 P305 I306 V321	V28-A318 HydrophobicContact CB-CB 4.34Å; V28-A318 HydrophobicContact CG2-CB 3.84Å; P305-A318 WeakPolarHBondContact CD-O 3.32Å; I306-A318 HydrophobicContact CB-CB 4.29Å; I306-A318 WeakPolarHBondContact CB-O 3.45Å; I306-A318 PolarHBondContact N-O 3.22Å; I306-A318 PolarHBondContact O-N 2.89Å; A318-V321 HydrophobicContact CB-CG2 4.22Å
319	D	93.8	Very high	96.9	Very high	32 Å²	32	33.8 Å²	33.8	17%	0.171	17%	0.166	C	C	.	.	S	Bend	trans	-86.2	-35.2	166	-61.3	-60.8	0	0	0	110.4	P25 R26 I306	P25-D319 WeakPolarHBondContact CA-OD2 3.44Å; P25-D319 HydrophobicContact CB-CB 4.3Å; R26-D319 PolarHBondContact N-OD2 3.07Å; R26-D319 PolarHBondContact O-N 2.8Å; I306-D319 WeakPolarHBondContact CD1-O 3.4Å
320	H	96.9	Very high	96.9	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.6	179.2	-54.2	-72.5	0	0	0	112	R26 I27 V28 L505 Q506 L508 L536 Y540	R26-H320 PolarHBondContact O-N 3Å; I27-H320 WeakPolarHBondContact CA-O 3.05Å; I27-H320 HydrophobicContact CG1-CB 4.34Å; I27-H320 HydrophobicContact CG2-CB 4.5Å; V28-H320 PolarHBondContact N-O 2.7Å; H320-L505 PolarHBondContact ND1-O 3.49Å; H320-Q506 CarbonylContact C-O 3.58Å; H320-Q506 WeakPolarHBondContact CA-O 3.5Å; H320-L508 HydrophobicContact CB-CD1 4.24Å; H320-L536 HydrophobicContact CB-CD1 4.03Å; H320-L536 HydrophobicContact CB-CD2 4.1Å; H320-Y540 AromaticContact CD2-CE2 3.94Å; H320-Y540 AromaticContact NE2-CE2 3.29Å; H320-Y540 VanDerWaalsContact NE2-CE2 3.29Å; H320-Y540 WeakPolarHBondContact NE2-CE2 3.47Å; H320-Y540 AromaticContact NE2-CZ 3.4Å; H320-Y540 PolarHBondContact NE2-OH 3.28Å
321	V	98.6	Very high	97	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.5	171	177.3	0	0	0	0	109.7	V28 I30 I264 I306 V308 A318 V323 Q506 V507 L508	V28-V321 HydrophobicContact CB-CG2 4.25Å; V28-V321 CarbonylContact O-C 3.55Å; V28-V321 WeakPolarHBondContact O-CA 3.31Å; I30-V321 HydrophobicContact CD1-CG1 3.55Å; I30-V321 HydrophobicContact CG1-CG1 4Å; I264-V321 HydrophobicContact CD1-CG1 4.25Å; I264-V321 HydrophobicContact CG2-CG2 4.33Å; I306-V321 HydrophobicContact CB-CG2 4.47Å; I306-V321 HydrophobicContact CD1-CB 4.4Å; I306-V321 HydrophobicContact CD1-CG2 3.91Å; I306-V321 HydrophobicContact CG2-CG2 3.66Å; V308-V321 HydrophobicContact CG2-CG2 3.59Å; A318-V321 HydrophobicContact CB-CG2 4.22Å; V321-V323 HydrophobicContact CG1-CG2 4Å; V321-Q506 PolarHBondContact N-O 2.91Å; V321-V507 WeakPolarHBondContact O-CA 2.89Å; V321-L508 WeakPolarHBondContact O-CD1 3.5Å; V321-L508 PolarHBondContact O-N 2.86Å
322	I	98.9	Very high	97	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	109.1	168.6	-53.8	179.4	0	0	0	108.1	I27 V28 V29 I30 A39 L43 T324 L508 A510 E532 L536	I27-I322 HydrophobicContact CG2-CD1 4.4Å; I27-I322 HydrophobicContact CG2-CG1 4.42Å; V28-I322 PolarHBondContact O-N 2.73Å; V29-I322 WeakPolarHBondContact CA-O 3.21Å; V29-I322 HydrophobicContact CG1-CB 4.47Å; V29-I322 HydrophobicContact CG2-CB 4.31Å; V29-I322 HydrophobicContact CG2-CD1 4.36Å; I30-I322 PolarHBondContact N-O 3.07Å; A39-I322 HydrophobicContact CB-CD1 4.05Å; L43-I322 HydrophobicContact CD1-CD1 4.04Å; I322-T324 HydrophobicContact CG2-CG2 3.96Å; I322-L508 HydrophobicContact CG1-CB 4.36Å; I322-L508 HydrophobicContact CG1-CD1 4.33Å; I322-A510 HydrophobicContact CG2-CB 4.12Å; I322-E532 HydrophobicContact CD1-CB 4.47Å; I322-E532 HydrophobicContact CG2-CB 4.29Å; I322-L536 HydrophobicContact CD1-CD1 4.11Å; I322-L536 HydrophobicContact CG1-CD1 4.35Å
323	V	98.9	Very high	97.1	Very high	2 Å²	2	35 Å²	35	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.1	177.6	-176.1	0	0	0	0	109	I264 V321 T325 L330 M337 F338 V507 L508 F509 A510	I264-V323 HydrophobicContact CD1-CG2 3.73Å; V321-V323 HydrophobicContact CG1-CG2 4Å; V323-T325 HydrophobicContact CG1-CG2 4.43Å; V323-T325 VanDerWaalsContact CG1-OG1 3.26Å; V323-T325 WeakPolarHBondContact CG1-OG1 3.31Å; V323-L330 HydrophobicContact CG1-CD2 4.5Å; V323-M337 HydrophobicContact CG1-CE 4.28Å; V323-F338 HydrophobicContact CG1-CZ 4.35Å; V323-F338 HydrophobicContact CG2-CE1 4.11Å; V323-F338 HydrophobicContact CG2-CZ 4.2Å; V323-V507 HydrophobicContact CG2-CG1 3.73Å; V323-L508 PolarHBondContact N-O 3.43Å; V323-F509 HydrophobicContact CB-CD1 4.02Å; V323-F509 HydrophobicContact CB-CE1 4.22Å; V323-F509 HydrophobicContact CG1-CD1 4.3Å; V323-F509 HydrophobicContact CG1-CE1 4.36Å; V323-F509 HydrophobicContact CG2-CE1 4.37Å; V323-A510 PolarHBondContact O-N 2.98Å
324	T	98.8	Very high	97.3	Very high	16 Å²	16	28.6 Å²	28.6	10%	0.098	14%	0.14	C	C	.	.			trans	-121.5	16.2	176.5	79.5	0	0	0	0	113.5	V29 I30 G31 A35 I322 A510	V29-T324 HydrophobicContact CG1-CG2 4.24Å; I30-T324 WeakPolarHBondContact O-CA 3.5Å; I30-T324 WeakPolarHBondContact O-CB 3.49Å; I30-T324 PolarHBondContact O-N 2.78Å; I30-T324 PolarHBondContact O-OG1 3.28Å; G31-T324 PolarHBondContact O-OG1 2.98Å; A35-T324 HydrophobicContact CB-CG2 4.19Å; I322-T324 HydrophobicContact CG2-CG2 3.96Å; T324-A510 WeakPolarHBondContact CA-O 3.48Å; T324-A510 HydrophobicContact CG2-CB 4.08Å
325	T	97.5	Very high	97.4	Very high	30 Å²	30	31.7 Å²	31.7	18%	0.184	16%	0.155	C	C	.	.			trans	-59.6	150.6	174.9	52	0	0	0	0	111.2	I30 V323 V329 L330 M337	I30-T325 HydrophobicContact CG2-CG2 3.87Å; V323-T325 HydrophobicContact CG1-CG2 4.43Å; V323-T325 VanDerWaalsContact CG1-OG1 3.26Å; V323-T325 WeakPolarHBondContact CG1-OG1 3.31Å; T325-V329 HydrophobicContact CG2-CG1 4.43Å; T325-L330 WeakPolarHBondContact OG1-CD2 3.44Å; T325-M337 HydrophobicContact CG2-CE 3.63Å; T325-M337 HydrophobicContact CG2-SD 4.49Å
326	S	98.3	Very high	97.5	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.049	17%	0.167	C	C	.	.			trans	-64.1	155.6	178.4	66.5	0	0	0	0	111.3	G328 V329 L330 I471	S326-G328 PolarHBondContact O-N 3.37Å; S326-V329 PolarHBondContact O-N 3.25Å; S326-V329 WeakPolarHBondContact OG-CG2 3.28Å; S326-V329 PolarHBondContact OG-N 2.72Å; S326-V329 VanDerWaalsContact OG-N 3.15Å; S326-L330 PolarHBondContact O-N 2.92Å; S326-I471 VanDerWaalsContact CB-O 3.3Å; S326-I471 WeakPolarHBondContact CB-O 3.02Å; S326-I471 PolarHBondContact OG-O 3.29Å
327	L	98.6	Very high	97.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-33.4	172.6	177.2	61.2	0	0	0	111.8	L330 K331 I350 L353 G354 I355 L490 A513	L327-L330 PolarHBondContact O-N 3.48Å; L327-K331 HydrophobicContact CD1-CG 4.32Å; L327-K331 HydrophobicContact CG-CD 4.43Å; L327-K331 HydrophobicContact CG-CG 4.44Å; L327-K331 WeakPolarHBondContact O-CB 3.13Å; L327-K331 WeakPolarHBondContact O-CG 3.46Å; L327-K331 PolarHBondContact O-N 3.42Å; L327-I350 HydrophobicContact CD1-CG2 4.32Å; L327-L353 HydrophobicContact CD1-CB 4.34Å; L327-L353 HydrophobicContact CD2-CB 3.5Å; L327-G354 WeakPolarHBondContact CD2-O 3.27Å; L327-I355 HydrophobicContact CB-CD1 4.18Å; L327-I355 HydrophobicContact CD2-CB 4.12Å; L327-I355 HydrophobicContact CD2-CG2 4.39Å; L327-I355 HydrophobicContact CG-CB 4.37Å; L327-I355 HydrophobicContact CG-CG2 4.23Å; L327-L490 HydrophobicContact CD1-CD2 4.3Å; L327-A513 HydrophobicContact CB-CB 3.95Å; L327-A513 HydrophobicContact CD2-CB 4.34Å
328	G	98.3	Very high	97.8	Very high	5 Å²	5	29.5 Å²	29.5	5%	0.052	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-43.4	177	0	0	0	0	0	112.9	S326 K331 Q332 R472	S326-G328 PolarHBondContact O-N 3.37Å; G328-K331 PolarHBondContact O-N 3.28Å; G328-Q332 PolarHBondContact O-N 2.99Å; G328-Q332 VanDerWaalsContact O-N 3.17Å; G328-R472 WeakPolarHBondContact CA-O 3.48Å
329	V	98.5	Very high	97.8	Very high	11 Å²	11	31.4 Å²	31.4	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-42.7	174.3	170.1	0	0	0	0	110.5	T325 S326 Q332 N333 Y470 R472	T325-V329 HydrophobicContact CG2-CG1 4.43Å; S326-V329 PolarHBondContact O-N 3.25Å; S326-V329 WeakPolarHBondContact OG-CG2 3.28Å; S326-V329 PolarHBondContact OG-N 2.72Å; S326-V329 VanDerWaalsContact OG-N 3.15Å; V329-Q332 PolarHBondContact O-N 3.45Å; V329-N333 WeakPolarHBondContact O-CB 3.1Å; V329-N333 PolarHBondContact O-N 3.43Å; V329-Y470 VanDerWaalsContact CG2-C 3.4Å; V329-Y470 WeakPolarHBondContact CG2-O 3.49Å; V329-R472 HydrophobicContact CG2-CB 4.43Å; V329-R472 HydrophobicContact CG2-CG 4.11Å
330	L	98.6	Very high	97.8	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-48.2	176.4	-68.5	176.2	0	0	0	111.3	V323 T325 S326 L327 Q332 N333 H334 M337 F338 I350 L490	V323-L330 HydrophobicContact CG1-CD2 4.5Å; T325-L330 WeakPolarHBondContact OG1-CD2 3.44Å; S326-L330 PolarHBondContact O-N 2.92Å; L327-L330 PolarHBondContact O-N 3.48Å; L330-Q332 PolarHBondContact O-N 3.01Å; L330-N333 PolarHBondContact O-N 2.95Å; L330-H334 WeakPolarHBondContact O-CB 3.32Å; L330-H334 PolarHBondContact O-CD2 3.37Å; L330-H334 PolarHBondContact O-N 3.43Å; L330-M337 HydrophobicContact CD2-SD 4.23Å; L330-F338 HydrophobicContact CD2-CE2 3.91Å; L330-F338 HydrophobicContact CD2-CZ 4.22Å; L330-I350 HydrophobicContact CB-CD1 4.28Å; L330-I350 HydrophobicContact CB-CG1 4.4Å; L330-I350 HydrophobicContact CB-CG2 4.12Å; L330-L490 HydrophobicContact CD1-CD1 3.99Å
331	K	98.3	Very high	97.8	Very high	69 Å²	69	35.8 Å²	35.8	30%	0.3	21%	0.205	S	C	.	.	H	α-helix	trans	-55.1	-37.8	177	-80	179.4	178.3	-66.4	0	113	L327 G328 I350 E351 L353 I355	L327-K331 HydrophobicContact CD1-CG 4.32Å; L327-K331 HydrophobicContact CG-CD 4.43Å; L327-K331 HydrophobicContact CG-CG 4.44Å; L327-K331 WeakPolarHBondContact O-CB 3.13Å; L327-K331 WeakPolarHBondContact O-CG 3.46Å; L327-K331 PolarHBondContact O-N 3.42Å; G328-K331 PolarHBondContact O-N 3.28Å; K331-I350 HydrophobicContact CB-CG2 4.3Å; K331-I350 WeakPolarHBondContact CE-O 3.27Å; K331-I350 HydrophobicContact CG-CG2 3.76Å; K331-I350 WeakPolarHBondContact CG-O 3.49Å; K331-I350 PolarHBondContact NZ-O 2.75Å; K331-E351 PolarHBondContact NZ-O 2.53Å; K331-L353 WeakPolarHBondContact CE-O 3.16Å; K331-L353 PolarHBondContact NZ-O 3.44Å; K331-I355 HydrophobicContact CD-CG2 3.67Å
332	Q	97.9	Very high	97.7	Very high	104 Å²	104	36.2 Å²	36.2	49%	0.486	21%	0.207	S	C	.	.	H	α-helix	trans	-82.2	-37.8	-179	-166.3	-179.5	13.2	0	0	113	G328 V329 L330	G328-Q332 PolarHBondContact O-N 2.99Å; G328-Q332 VanDerWaalsContact O-N 3.17Å; V329-Q332 PolarHBondContact O-N 3.45Å; L330-Q332 PolarHBondContact O-N 3.01Å
333	N	97.7	Very high	97.5	Very high	62 Å²	62	37.9 Å²	37.9	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-120.6	-1.4	-161.2	-62.5	-19.5	0	0	0	114.4	V329 L330 E335 A336 M337	V329-N333 WeakPolarHBondContact O-CB 3.1Å; V329-N333 PolarHBondContact O-N 3.43Å; L330-N333 PolarHBondContact O-N 2.95Å; N333-E335 PolarHBondContact O-N 3.48Å; N333-A336 PolarHBondContact O-N 3.3Å; N333-M337 WeakPolarHBondContact O-CB 3.43Å; N333-M337 PolarHBondContact O-N 3.48Å
334	H	98	Very high	97.5	Very high	16 Å²	16	45.2 Å²	45.2	7%	0.074	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-28.5	-173.3	69.2	78.2	0	0	0	114	L330 F338 L342 I350	L330-H334 WeakPolarHBondContact O-CB 3.32Å; L330-H334 PolarHBondContact O-CD2 3.37Å; L330-H334 PolarHBondContact O-N 3.43Å; H334-F338 HydrophobicContact CB-CD2 4.47Å; H334-F338 WeakPolarHBondContact O-CD2 3.18Å; H334-L342 HydrophobicContact CB-CD1 4.08Å; H334-I350 HydrophobicContact CB-CD1 4.04Å
335	E	97.6	Very high	97.3	Very high	163 Å²	163	47.2 Å²	47.2	76%	0.762	26%	0.262	S	S	*	.	H	α-helix	trans	-68.3	-40.2	177	-61.9	-171.2	164.7	0	0	112.6	N333	N333-E335 PolarHBondContact O-N 3.48Å
336	A	97.1	Very high	97.3	Very high	73 Å²	73	45.8 Å²	45.8	60%	0.603	25%	0.254	S	S	*	.	H	α-helix	trans	-87.6	-30.1	-179.6	0	0	0	0	0	112.4	C263 N333 F338	C263-A336 PolarHBondContact SG-O 3.42Å; N333-A336 PolarHBondContact O-N 3.3Å; A336-F338 VanDerWaalsContact C-N 3.32Å; A336-F338 PolarHBondContact O-N 3.27Å
337	M	97.8	Very high	97.3	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.044	26%	0.258	C	S	.	.	H	α-helix	trans	-75.4	-17.7	-173.4	-169.7	179.9	179.7	0	0	113.1	I30 C263 I264 V323 T325 L330 N333	I30-M337 HydrophobicContact CG2-CE 4.35Å; C263-M337 CarbonylContact C-O 3.51Å; C263-M337 WeakPolarHBondContact CA-O 3.4Å; I264-M337 HydrophobicContact CD1-CE 4.04Å; I264-M337 PolarHBondContact N-O 2.98Å; V323-M337 HydrophobicContact CG1-CE 4.28Å; T325-M337 HydrophobicContact CG2-CE 3.63Å; T325-M337 HydrophobicContact CG2-SD 4.49Å; L330-M337 HydrophobicContact CD2-SD 4.23Å; N333-M337 WeakPolarHBondContact O-CB 3.43Å; N333-M337 PolarHBondContact O-N 3.48Å
338	F	98.4	Very high	97.3	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.022	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.9	-177.3	-62.8	-87.2	0	0	0	112.2	I264 V323 L330 H334 A336 P340 L342 V507 F509	I264-F338 HydrophobicContact CB-CD1 4.2Å; I264-F338 HydrophobicContact CB-CE1 4.48Å; I264-F338 HydrophobicContact CD1-CD1 4.04Å; I264-F338 HydrophobicContact CD1-CE1 3.51Å; I264-F338 HydrophobicContact CD1-CZ 4.02Å; V323-F338 HydrophobicContact CG1-CZ 4.35Å; V323-F338 HydrophobicContact CG2-CE1 4.11Å; V323-F338 HydrophobicContact CG2-CZ 4.2Å; L330-F338 HydrophobicContact CD2-CE2 3.91Å; L330-F338 HydrophobicContact CD2-CZ 4.22Å; H334-F338 HydrophobicContact CB-CD2 4.47Å; H334-F338 WeakPolarHBondContact O-CD2 3.18Å; A336-F338 VanDerWaalsContact C-N 3.32Å; A336-F338 PolarHBondContact O-N 3.27Å; F338-P340 CarbonylContact C-O 3.47Å; F338-P340 VanDerWaalsContact C-O 3.28Å; F338-P340 CarbonylContact O-C 3.39Å; F338-L342 HydrophobicContact CB-CD2 3.93Å; F338-L342 HydrophobicContact CB-CG 4.02Å; F338-L342 HydrophobicContact CD1-CD2 3.58Å; F338-L342 HydrophobicContact CD1-CG 4.36Å; F338-L342 HydrophobicContact CD2-CD1 3.75Å; F338-L342 HydrophobicContact CD2-CD2 3.82Å; F338-L342 HydrophobicContact CD2-CG 3.7Å; F338-L342 HydrophobicContact CE1-CD2 3.99Å; F338-L342 HydrophobicContact CE2-CD1 3.85Å; F338-L342 HydrophobicContact CE2-CD2 4.22Å; F338-L342 HydrophobicContact CE2-CG 4.25Å; F338-L342 HydrophobicContact CG-CD1 4.29Å; F338-L342 HydrophobicContact CG-CD2 3.49Å; F338-L342 VanDerWaalsContact CG-CD2 3.49Å; F338-L342 HydrophobicContact CG-CG 3.77Å; F338-L342 HydrophobicContact CZ-CD1 4.46Å; F338-L342 HydrophobicContact CZ-CD2 4.29Å; F338-V507 HydrophobicContact CE1-CG1 3.89Å; F338-F509 HydrophobicContact CE1-CE1 4.24Å; F338-F509 HydrophobicContact CE1-CZ 4.08Å; F338-F509 AromaticContact CZ-CE1 3.83Å; F338-F509 HydrophobicContact CZ-CE1 3.83Å; F338-F509 HydrophobicContact CZ-CZ 4.1Å
339	S	95.5	Very high	97.3	Very high	40 Å²	40	49.6 Å²	49.6	28%	0.28	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.5	173.8	178.7	0	0	0	0	109.2	I264 H265 W266	I264-S339 PolarHBondContact O-N 2.78Å; H265-S339 CarbonylContact C-O 3.28Å; H265-S339 WeakPolarHBondContact CA-O 3.21Å; W266-S339 VanDerWaalsContact CD1-O 3.23Å; W266-S339 PolarHBondContact N-O 2.81Å
340	P	93.9	Very high	97.3	Very high	42 Å²	42	49.1 Å²	49.1	27%	0.273	27%	0.27	S	S	.	.	S	Bend	cis	-64.7	169.2	-4.5	31.6	-33.8	0	0	0	111.6	W266 Q271 F338	W266-P340 HydrophobicContact CD2-CG 4.44Å; W266-P340 HydrophobicContact CZ2-CG 3.87Å; W266-P340 PolarHBondContact NE1-O 3.13Å; W266-P340 WeakPolarHBondContact O-CD 3.44Å; Q271-P340 VanDerWaalsContact NE2-CD 3.33Å; F338-P340 CarbonylContact C-O 3.47Å; F338-P340 VanDerWaalsContact C-O 3.28Å; F338-P340 CarbonylContact O-C 3.39Å
341	S	96.1	Very high	97.3	Very high	91 Å²	91	54.1 Å²	54.1	64%	0.636	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-55.3	150.9	177.7	60.2	0	0	0	0	111.8
342	L	96.9	Very high	97.2	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.042	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-59.7	150.3	173.1	-62.7	-179.2	0	0	0	111.1	H334 F338 K346 V347 I350 L494 F509	H334-L342 HydrophobicContact CB-CD1 4.08Å; F338-L342 HydrophobicContact CB-CD2 3.93Å; F338-L342 HydrophobicContact CB-CG 4.02Å; F338-L342 HydrophobicContact CD1-CD2 3.58Å; F338-L342 HydrophobicContact CD1-CG 4.36Å; F338-L342 HydrophobicContact CD2-CD1 3.75Å; F338-L342 HydrophobicContact CD2-CD2 3.82Å; F338-L342 HydrophobicContact CD2-CG 3.7Å; F338-L342 HydrophobicContact CE1-CD2 3.99Å; F338-L342 HydrophobicContact CE2-CD1 3.85Å; F338-L342 HydrophobicContact CE2-CD2 4.22Å; F338-L342 HydrophobicContact CE2-CG 4.25Å; F338-L342 HydrophobicContact CG-CD1 4.29Å; F338-L342 HydrophobicContact CG-CD2 3.49Å; F338-L342 VanDerWaalsContact CG-CD2 3.49Å; F338-L342 HydrophobicContact CG-CG 3.77Å; F338-L342 HydrophobicContact CZ-CD1 4.46Å; F338-L342 HydrophobicContact CZ-CD2 4.29Å; L342-K346 HydrophobicContact CB-CD 4.41Å; L342-K346 HydrophobicContact CD1-CD 4.01Å; L342-K346 HydrophobicContact CD1-CG 4.31Å; L342-K346 HydrophobicContact CD2-CD 4.09Å; L342-K346 HydrophobicContact CG-CD 4.41Å; L342-V347 HydrophobicContact CB-CG2 3.93Å; L342-I350 HydrophobicContact CD1-CD1 3.64Å; L342-L494 HydrophobicContact CD2-CD1 3.67Å; L342-F509 HydrophobicContact CD2-CZ 4.13Å
343	P	95.9	Very high	97.1	Very high	36 Å²	36	50.6 Å²	50.6	23%	0.234	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-56.3	146.9	170.6	-27.1	37.3	0	0	0	112.7	D345 K346 V347 L494 Y496	P343-D345 VanDerWaalsContact C-N 3.29Å; P343-D345 VanDerWaalsContact CB-OD1 3.27Å; P343-D345 WeakPolarHBondContact CB-OD1 3.33Å; P343-D345 PolarHBondContact O-N 3.05Å; P343-K346 WeakPolarHBondContact O-CB 3.25Å; P343-K346 PolarHBondContact O-N 3.12Å; P343-V347 PolarHBondContact O-N 3.16Å; P343-L494 HydrophobicContact CG-CD2 3.72Å; P343-Y496 HydrophobicContact CB-CE2 3.8Å; P343-Y496 HydrophobicContact CG-CE2 3.85Å
344	E	96.9	Very high	97.1	Very high	155 Å²	155	47.7 Å²	47.7	72%	0.724	26%	0.262	S	S	*	.	H	α-helix	trans	-55.8	-40.7	-175.2	-174.3	179.5	-175.7	0	0	112.8	K346 V347 L348	E344-K346 VanDerWaalsContact C-N 3.29Å; E344-K346 PolarHBondContact O-N 3.23Å; E344-V347 PolarHBondContact O-N 3.01Å; E344-L348 HydrophobicContact CG-CD1 4.19Å; E344-L348 HydrophobicContact CG-CG 4.46Å; E344-L348 WeakPolarHBondContact O-CB 3.18Å; E344-L348 VanDerWaalsContact O-CG 3.29Å; E344-L348 WeakPolarHBondContact O-CG 3.44Å; E344-L348 PolarHBondContact O-N 2.72Å
345	D	96.1	Very high	97	Very high	58 Å²	58	48.4 Å²	48.4	31%	0.31	27%	0.265	S	S	.	.	H	α-helix	trans	-65.2	-31.5	179.3	68.7	-35.6	0	0	0	113.2	P343 A349 Y496	P343-D345 VanDerWaalsContact C-N 3.29Å; P343-D345 VanDerWaalsContact CB-OD1 3.27Å; P343-D345 WeakPolarHBondContact CB-OD1 3.33Å; P343-D345 PolarHBondContact O-N 3.05Å; D345-A349 PolarHBondContact O-N 2.81Å; D345-A349 VanDerWaalsContact O-N 3.15Å; D345-Y496 VanDerWaalsContact CG-OH 3.3Å; D345-Y496 WeakPolarHBondContact OD1-CE2 3.46Å; D345-Y496 PolarHBondContact OD1-OH 3.16Å; D345-Y496 PolarHBondContact OD2-OH 3.18Å
346	K	97.6	Very high	96.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-76.1	-39	173.6	-173.8	177	-67.9	-67.3	0	111.7	L342 P343 E344 A349 I350 R489 L490 M492 L494 F509	L342-K346 HydrophobicContact CB-CD 4.41Å; L342-K346 HydrophobicContact CD1-CD 4.01Å; L342-K346 HydrophobicContact CD1-CG 4.31Å; L342-K346 HydrophobicContact CD2-CD 4.09Å; L342-K346 HydrophobicContact CG-CD 4.41Å; P343-K346 WeakPolarHBondContact O-CB 3.25Å; P343-K346 PolarHBondContact O-N 3.12Å; E344-K346 VanDerWaalsContact C-N 3.29Å; E344-K346 PolarHBondContact O-N 3.23Å; K346-A349 WeakPolarHBondContact O-CB 3.33Å; K346-A349 PolarHBondContact O-N 2.87Å; K346-I350 HydrophobicContact CG-CD1 4.49Å; K346-I350 WeakPolarHBondContact O-CG1 3.35Å; K346-I350 PolarHBondContact O-N 2.93Å; K346-R489 PolarHBondContact NZ-O 2.87Å; K346-L490 PolarHBondContact NZ-O 3.07Å; K346-M492 PolarHBondContact NZ-O 2.87Å; K346-L494 HydrophobicContact CD-CD1 4.18Å; K346-F509 HydrophobicContact CD-CE1 4.44Å; K346-F509 HydrophobicContact CD-CE2 3.88Å; K346-F509 HydrophobicContact CD-CZ 3.78Å
347	V	98.4	Very high	96.9	Very high	25 Å²	25	38.2 Å²	38.2	15%	0.152	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-47.8	172.8	174.7	0	0	0	0	110.2	L342 P343 E344 A349 I350 E351	L342-V347 HydrophobicContact CB-CG2 3.93Å; P343-V347 PolarHBondContact O-N 3.16Å; E344-V347 PolarHBondContact O-N 3.01Å; V347-A349 VanDerWaalsContact C-N 3.26Å; V347-A349 PolarHBondContact O-N 3.35Å; V347-I350 WeakPolarHBondContact O-CA 3.35Å; V347-I350 WeakPolarHBondContact O-CB 3.21Å; V347-I350 PolarHBondContact O-N 3.49Å; V347-E351 HydrophobicContact CG1-CG 4.47Å; V347-E351 WeakPolarHBondContact O-CG 3.5Å; V347-E351 PolarHBondContact O-N 2.76Å
348	L	98.1	Very high	96.8	Very high	70 Å²	70	38 Å²	38	37%	0.366	21%	0.207	S	C	.	.	H	α-helix	trans	-58.6	-37.4	175.7	-71.7	171.6	0	0	0	112.4	E344 E351 K352	E344-L348 HydrophobicContact CG-CD1 4.19Å; E344-L348 HydrophobicContact CG-CG 4.46Å; E344-L348 WeakPolarHBondContact O-CB 3.18Å; E344-L348 VanDerWaalsContact O-CG 3.29Å; E344-L348 WeakPolarHBondContact O-CG 3.44Å; E344-L348 PolarHBondContact O-N 2.72Å; L348-E351 PolarHBondContact O-N 3.07Å; L348-K352 WeakPolarHBondContact O-CB 3.42Å; L348-K352 VanDerWaalsContact O-CG 3.26Å; L348-K352 WeakPolarHBondContact O-CG 3.32Å; L348-K352 PolarHBondContact O-N 3.28Å
349	A	98.2	Very high	96.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.6	-43.6	174.3	0	0	0	0	0	112.1	D345 K346 V347 E351 K352 L353 D486 R489	D345-A349 PolarHBondContact O-N 2.81Å; D345-A349 VanDerWaalsContact O-N 3.15Å; K346-A349 WeakPolarHBondContact O-CB 3.33Å; K346-A349 PolarHBondContact O-N 2.87Å; V347-A349 VanDerWaalsContact C-N 3.26Å; V347-A349 PolarHBondContact O-N 3.35Å; A349-E351 VanDerWaalsContact C-N 3.29Å; A349-E351 PolarHBondContact O-N 2.74Å; A349-K352 PolarHBondContact O-N 2.64Å; A349-L353 WeakPolarHBondContact O-CB 3.46Å; A349-L353 VanDerWaalsContact O-CG 3.3Å; A349-L353 WeakPolarHBondContact O-CG 3.46Å; A349-L353 PolarHBondContact O-N 3.17Å; A349-L353 VanDerWaalsContact O-N 3.1Å; A349-D486 HydrophobicContact CB-CB 4.1Å; A349-D486 WeakPolarHBondContact CB-O 3.42Å; A349-R489 HydrophobicContact CB-CB 3.81Å
350	I	98.4	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.7	-42.3	174.6	-69.5	165.2	0	0	0	110.4	L327 L330 K331 H334 L342 K346 V347 L490	L327-I350 HydrophobicContact CD1-CG2 4.32Å; L330-I350 HydrophobicContact CB-CD1 4.28Å; L330-I350 HydrophobicContact CB-CG1 4.4Å; L330-I350 HydrophobicContact CB-CG2 4.12Å; K331-I350 HydrophobicContact CB-CG2 4.3Å; K331-I350 WeakPolarHBondContact CE-O 3.27Å; K331-I350 HydrophobicContact CG-CG2 3.76Å; K331-I350 WeakPolarHBondContact CG-O 3.49Å; K331-I350 PolarHBondContact NZ-O 2.75Å; H334-I350 HydrophobicContact CB-CD1 4.04Å; L342-I350 HydrophobicContact CD1-CD1 3.64Å; K346-I350 HydrophobicContact CG-CD1 4.49Å; K346-I350 WeakPolarHBondContact O-CG1 3.35Å; K346-I350 PolarHBondContact O-N 2.93Å; V347-I350 WeakPolarHBondContact O-CA 3.35Å; V347-I350 WeakPolarHBondContact O-CB 3.21Å; V347-I350 PolarHBondContact O-N 3.49Å; I350-L490 HydrophobicContact CD1-CD1 4.48Å; I350-L490 HydrophobicContact CG1-CD1 3.85Å
351	E	97.6	Very high	97.1	Very high	111 Å²	111	34.2 Å²	34.2	52%	0.519	18%	0.181	S	C	.	.	H	α-helix	trans	-69.1	-43.8	179.9	-70.5	176.2	170.7	0	0	113	K331 V347 L348 A349	K331-E351 PolarHBondContact NZ-O 2.53Å; V347-E351 HydrophobicContact CG1-CG 4.47Å; V347-E351 WeakPolarHBondContact O-CG 3.5Å; V347-E351 PolarHBondContact O-N 2.76Å; L348-E351 PolarHBondContact O-N 3.07Å; A349-E351 VanDerWaalsContact C-N 3.29Å; A349-E351 PolarHBondContact O-N 2.74Å
352	K	96.4	Very high	97.2	Very high	89 Å²	89	30.3 Å²	30.3	39%	0.387	15%	0.153	S	C	.	.	H	α-helix	trans	-73.1	-41.8	-175.4	-76.1	179.9	177.1	-170.8	0	114.3	L348 A349 G354 S482 D486	L348-K352 WeakPolarHBondContact O-CB 3.42Å; L348-K352 VanDerWaalsContact O-CG 3.26Å; L348-K352 WeakPolarHBondContact O-CG 3.32Å; L348-K352 PolarHBondContact O-N 3.28Å; A349-K352 PolarHBondContact O-N 2.64Å; K352-G354 PolarHBondContact O-N 2.87Å; K352-S482 WeakPolarHBondContact O-CB 3.37Å; K352-D486 WeakPolarHBondContact CD-OD2 3.44Å
353	L	96.8	Very high	97.2	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.047	15%	0.151	C	C	.	.	S	Bend	trans	-59.1	136.6	-179.7	-72	167.9	0	0	0	109.9	L327 K331 A349 D486 C487 L490	L327-L353 HydrophobicContact CD1-CB 4.34Å; L327-L353 HydrophobicContact CD2-CB 3.5Å; K331-L353 WeakPolarHBondContact CE-O 3.16Å; K331-L353 PolarHBondContact NZ-O 3.44Å; A349-L353 WeakPolarHBondContact O-CB 3.46Å; A349-L353 VanDerWaalsContact O-CG 3.3Å; A349-L353 WeakPolarHBondContact O-CG 3.46Å; A349-L353 PolarHBondContact O-N 3.17Å; A349-L353 VanDerWaalsContact O-N 3.1Å; L353-D486 HydrophobicContact CD2-CB 4.05Å; L353-D486 HydrophobicContact CG-CB 4Å; L353-C487 HydrophobicContact CD2-CB 4.44Å; L353-L490 HydrophobicContact CD1-CB 4.14Å; L353-L490 HydrophobicContact CD1-CD2 3.72Å
354	G	96.8	Very high	97.3	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	143.5	178.6	0	0	0	0	0	111.4	L327 K352 S476 F477	L327-G354 WeakPolarHBondContact CD2-O 3.27Å; K352-G354 PolarHBondContact O-N 2.87Å; G354-S476 CarbonylContact O-C 3.59Å; G354-S476 WeakPolarHBondContact O-CA 3.29Å; G354-S476 WeakPolarHBondContact O-CB 3.27Å; G354-F477 VanDerWaalsContact CA-O 3.28Å; G354-F477 WeakPolarHBondContact CA-O 3.45Å; G354-F477 PolarHBondContact N-O 2.87Å; G354-F477 PolarHBondContact O-N 2.8Å
355	I	96.8	Very high	97.3	Very high	30 Å²	30	22.3 Å²	22.3	15%	0.154	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.9	159.2	-173.1	167.6	0	0	0	107.1	L327 K331 Y475	L327-I355 HydrophobicContact CB-CD1 4.18Å; L327-I355 HydrophobicContact CD2-CB 4.12Å; L327-I355 HydrophobicContact CD2-CG2 4.39Å; L327-I355 HydrophobicContact CG-CB 4.37Å; L327-I355 HydrophobicContact CG-CG2 4.23Å; K331-I355 HydrophobicContact CD-CG2 3.67Å; I355-Y475 WeakPolarHBondContact CG1-O 3.17Å
356	S	95.5	Very high	97.3	Very high	15 Å²	15	25.5 Å²	25.5	11%	0.105	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	177.9	174.6	-158.3	0	0	0	0	110	S210 S474	S210-S356 WeakPolarHBondContact O-CB 3.49Å; S210-S356 PolarHBondContact OG-O 2.69Å; S356-S474 PolarHBondContact O-N 3.23Å
357	T	96.6	Very high	97.2	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.043	15%	0.153	C	C	.	.			trans	-96.5	132.9	169.6	-57	0	0	0	0	109.2	D359 C422 G423 A426 L427 E430 G466	T357-D359 WeakPolarHBondContact CG2-OD2 3.5Å; T357-C422 CarbonylContact O-C 3.53Å; T357-C422 WeakPolarHBondContact O-CA 3.49Å; T357-C422 WeakPolarHBondContact O-CB 3.39Å; T357-G423 PolarHBondContact O-N 3.36Å; T357-A426 HydrophobicContact CG2-CB 3.91Å; T357-L427 HydrophobicContact CG2-CD2 4.38Å; T357-E430 WeakPolarHBondContact CG2-OE1 3.44Å; T357-G466 VanDerWaalsContact OG1-CA 3.25Å; T357-G466 WeakPolarHBondContact OG1-CA 3.42Å
358	T	96.4	Very high	97.1	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121.4	168.7	-59.9	0	0	0	0	108	C207 S210 W420 I421 C422 S474	C207-T358 HydrophobicContact CB-CG2 4.31Å; S210-T358 VanDerWaalsContact CA-OG1 3.25Å; S210-T358 WeakPolarHBondContact CA-OG1 3.09Å; S210-T358 WeakPolarHBondContact CB-OG1 3.44Å; S210-T358 PolarHBondContact OG-OG1 3.19Å; T358-W420 HydrophobicContact CG2-CE3 3.87Å; T358-W420 HydrophobicContact CG2-CZ3 4.26Å; T358-I421 CarbonylContact C-O 3.59Å; T358-I421 VanDerWaalsContact CA-O 3.31Å; T358-I421 WeakPolarHBondContact CA-O 3.46Å; T358-C422 HydrophobicContact CG2-CB 4.2Å; T358-C422 WeakPolarHBondContact OG1-CB 3.34Å; T358-S474 PolarHBondContact N-OG 3.04Å; T358-S474 PolarHBondContact O-OG 2.95Å
359	D	97.7	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	158.2	-177.8	-72.4	-49.3	0	0	0	112.5	T357 W420 I421 M429 E430 S463 S464 W465	T357-D359 WeakPolarHBondContact CG2-OD2 3.5Å; D359-W420 WeakPolarHBondContact O-CA 3.1Å; D359-I421 HydrophobicContact CB-CG2 3.97Å; D359-I421 PolarHBondContact N-O 2.77Å; D359-I421 PolarHBondContact O-N 2.9Å; D359-M429 HydrophobicContact CB-CE 3.69Å; D359-E430 WeakPolarHBondContact OD2-CG 3.16Å; D359-S463 WeakPolarHBondContact CA-OG 3.16Å; D359-S463 WeakPolarHBondContact CB-OG 3.34Å; D359-S463 VanDerWaalsContact CG-OG 3.3Å; D359-S463 WeakPolarHBondContact OD1-CB 3.49Å; D359-S463 PolarHBondContact OD1-OG 3.35Å; D359-S464 PolarHBondContact OD1-N 2.89Å; D359-W465 VanDerWaalsContact OD1-CD1 3.31Å; D359-W465 PolarHBondContact OD1-N 3.35Å
360	K	97	Very high	96.7	Very high	6 Å²	6	33 Å²	33	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	147.6	173.5	-68.9	168.3	174.1	171.7	0	110.8	E75 G77 T79 F362 G419 W420 R462 S463	E75-K360 WeakPolarHBondContact O-CD 3.49Å; E75-K360 PolarHBondContact O-NZ 3.17Å; G77-K360 PolarHBondContact O-NZ 3.43Å; T79-K360 PolarHBondContact OG1-NZ 3.42Å; K360-F362 HydrophobicContact CB-CD2 4.46Å; K360-F362 HydrophobicContact CB-CE2 3.85Å; K360-F362 HydrophobicContact CB-CZ 4.29Å; K360-F362 HydrophobicContact CD-CE2 4.08Å; K360-F362 HydrophobicContact CD-CZ 3.96Å; K360-G419 CarbonylContact C-O 3.51Å; K360-G419 WeakPolarHBondContact CA-O 3.34Å; K360-W420 HydrophobicContact CD-CH2 4.06Å; K360-W420 HydrophobicContact CD-CZ2 4.19Å; K360-W420 HydrophobicContact CD-CZ3 4.36Å; K360-W420 HydrophobicContact CG-CD2 4.1Å; K360-W420 HydrophobicContact CG-CE3 3.93Å; K360-W420 HydrophobicContact CG-CH2 3.99Å; K360-W420 HydrophobicContact CG-CZ2 4.05Å; K360-W420 HydrophobicContact CG-CZ3 3.9Å; K360-R462 WeakPolarHBondContact O-CA 3.49Å; K360-R462 WeakPolarHBondContact O-CB 3.22Å; K360-S463 PolarHBondContact N-OG 2.88Å; K360-S463 PolarHBondContact O-N 3.29Å; K360-S463 VanDerWaalsContact O-N 3.13Å
361	I	98.3	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.7	174.2	-54.6	173.6	0	0	0	107.9	L363 I401 F404 S418 G419 I421 M429 V437 I460	I361-L363 HydrophobicContact CG2-CD2 3.7Å; I361-L363 HydrophobicContact CG2-CG 4.22Å; I361-I401 HydrophobicContact CD1-CD1 4.08Å; I361-F404 HydrophobicContact CB-CE1 4.35Å; I361-F404 HydrophobicContact CG2-CE1 4.31Å; I361-S418 CarbonylContact O-C 3.55Å; I361-S418 WeakPolarHBondContact O-CA 3.42Å; I361-G419 PolarHBondContact N-O 3.17Å; I361-G419 PolarHBondContact O-N 2.75Å; I361-I421 HydrophobicContact CD1-CG2 4.25Å; I361-M429 HydrophobicContact CD1-CG 4.29Å; I361-M429 HydrophobicContact CG1-CE 4.41Å; I361-V437 HydrophobicContact CD1-CG1 4.31Å; I361-V437 HydrophobicContact CG2-CG1 4.39Å; I361-I460 HydrophobicContact CG2-CD1 3.98Å; I361-I460 HydrophobicContact CG2-CG1 4.27Å
362	F	98.1	Very high	95.8	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.039	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.6	174.6	-62.7	-80.2	0	0	0	110.2	L74 E75 L76 K360 L407 M416 L417 S418 I460 L461	L74-F362 HydrophobicContact CB-CE2 4.4Å; L74-F362 HydrophobicContact CB-CZ 4.36Å; L74-F362 HydrophobicContact CD1-CB 4.31Å; L74-F362 HydrophobicContact CD1-CD1 4.35Å; L74-F362 HydrophobicContact CD1-CG 4.14Å; L74-F362 HydrophobicContact CD2-CD1 4.1Å; L74-F362 HydrophobicContact CD2-CE1 4.12Å; E75-F362 WeakPolarHBondContact O-CZ 3.1Å; L76-F362 HydrophobicContact CD2-CD2 4.2Å; L76-F362 HydrophobicContact CD2-CE2 3.96Å; K360-F362 HydrophobicContact CB-CD2 4.46Å; K360-F362 HydrophobicContact CB-CE2 3.85Å; K360-F362 HydrophobicContact CB-CZ 4.29Å; K360-F362 HydrophobicContact CD-CE2 4.08Å; K360-F362 HydrophobicContact CD-CZ 3.96Å; F362-L407 HydrophobicContact CD1-CD1 4Å; F362-L407 HydrophobicContact CE1-CD1 3.88Å; F362-M416 HydrophobicContact CB-SD 3.9Å; F362-M416 HydrophobicContact CD1-CG 4.36Å; F362-L417 CarbonylContact C-O 3.37Å; F362-L417 VanDerWaalsContact CA-O 3.24Å; F362-L417 WeakPolarHBondContact CA-O 3.38Å; F362-S418 WeakPolarHBondContact CE1-OG 3.45Å; F362-I460 VanDerWaalsContact O-CA 3.31Å; F362-I460 WeakPolarHBondContact O-CA 3.31Å; F362-L461 HydrophobicContact CB-CB 4.16Å; F362-L461 HydrophobicContact CD2-CB 4.4Å; F362-L461 PolarHBondContact N-O 3.38Å; F362-L461 PolarHBondContact O-N 3.47Å
363	L	98.2	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.6	-179.9	-51.6	178	0	0	0	109.2	I361 F365 F404 M416 L417 C441 L445 P457 I460	I361-L363 HydrophobicContact CG2-CD2 3.7Å; I361-L363 HydrophobicContact CG2-CG 4.22Å; L363-F365 HydrophobicContact CB-CE2 3.68Å; L363-F365 HydrophobicContact CB-CZ 4.1Å; L363-F404 HydrophobicContact CD1-CD1 4.04Å; L363-F404 HydrophobicContact CD1-CE1 3.45Å; L363-F404 VanDerWaalsContact CD1-CE1 3.45Å; L363-F404 HydrophobicContact CD1-CE2 4.27Å; L363-F404 HydrophobicContact CD1-CZ 3.6Å; L363-F404 HydrophobicContact CG-CD1 4.49Å; L363-F404 HydrophobicContact CG-CE1 3.86Å; L363-F404 HydrophobicContact CG-CZ 4.38Å; L363-M416 VanDerWaalsContact C-SD 3.59Å; L363-M416 WeakPolarHBondContact O-CA 3.48Å; L363-L417 HydrophobicContact CB-CB 4.29Å; L363-L417 PolarHBondContact N-O 3.44Å; L363-L417 PolarHBondContact O-N 2.68Å; L363-C441 HydrophobicContact CD1-CB 3.72Å; L363-C441 HydrophobicContact CD2-CB 4.34Å; L363-L445 HydrophobicContact CD1-CD1 4.12Å; L363-P457 HydrophobicContact CB-CB 4.04Å; L363-P457 HydrophobicContact CB-CG 4.5Å; L363-P457 HydrophobicContact CD2-CG 4.13Å; L363-I460 HydrophobicContact CD2-CB 4.37Å; L363-I460 HydrophobicContact CD2-CD1 3.84Å; L363-I460 HydrophobicContact CD2-CG1 3.89Å
364	E	97	Very high	95.1	Very high	28 Å²	28	34.5 Å²	34.5	13%	0.131	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.5	178.4	-168.5	-174.5	-175.2	0	0	110.8	M416 P457 K458 R459	E364-M416 HydrophobicContact CB-CE 3.68Å; E364-M416 HydrophobicContact CB-SD 3.9Å; E364-M416 HydrophobicContact CG-CE 3.77Å; E364-P457 CarbonylContact O-C 3.6Å; E364-P457 WeakPolarHBondContact O-CA 3.38Å; E364-P457 VanDerWaalsContact O-CB 3.3Å; E364-P457 WeakPolarHBondContact O-CB 3.19Å; E364-K458 HydrophobicContact CB-CG 4.28Å; E364-K458 HydrophobicContact CG-CD 4.46Å; E364-K458 HydrophobicContact CG-CG 4.16Å; E364-K458 WeakPolarHBondContact O-CG 3.48Å; E364-K458 PolarHBondContact O-N 3.34Å; E364-K458 WeakPolarHBondContact OE1-CE 3.37Å; E364-K458 IonicContact OE1-NZ 3.8Å; E364-R459 HydrophobicContact CB-CB 4.32Å; E364-R459 PolarHBondContact N-O 2.89Å; E364-R459 IonicContact OE1-NH2 2.83Å; E364-R459 IonicContact OE2-CZ 3.25Å; E364-R459 IonicContact OE2-NE 2.8Å; E364-R459 PolarHBondContact OE2-NE 3.16Å; E364-R459 IonicContact OE2-NH2 3.68Å; E364-R459 PolarHBondContact OE2-NH2 3Å
365	F	97.6	Very high	94.7	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	157.9	177.8	-63.2	-90.6	0	0	0	111.4	L363 E367 F369 W370 Y415 L417 L445 I454 P455 P457 K458	L363-F365 HydrophobicContact CB-CE2 3.68Å; L363-F365 HydrophobicContact CB-CZ 4.1Å; F365-E367 WeakPolarHBondContact CB-O 3.3Å; F365-F369 HydrophobicContact CD1-CD1 4.28Å; F365-F369 HydrophobicContact CD1-CE1 4.21Å; F365-F369 HydrophobicContact CD2-CE1 4.33Å; F365-F369 HydrophobicContact CE1-CD1 4.27Å; F365-F369 AromaticContact CE1-CE1 3.84Å; F365-F369 HydrophobicContact CE1-CE1 3.84Å; F365-F369 AromaticContact CE2-CE1 3.97Å; F365-F369 HydrophobicContact CE2-CE1 3.97Å; F365-F369 HydrophobicContact CG-CE1 4.44Å; F365-F369 AromaticContact CZ-CE1 3.72Å; F365-F369 HydrophobicContact CZ-CE1 3.72Å; F365-W370 AromaticContact CD2-CH2 3.85Å; F365-W370 HydrophobicContact CD2-CH2 3.85Å; F365-W370 AromaticContact CD2-CZ3 3.74Å; F365-W370 HydrophobicContact CD2-CZ3 3.74Å; F365-W370 HydrophobicContact CE2-CZ3 4.15Å; F365-W370 HydrophobicContact CG-CZ3 4.3Å; F365-Y415 PolarHBondContact N-O 2.82Å; F365-L417 HydrophobicContact CE2-CB 4.5Å; F365-L417 HydrophobicContact CE2-CD1 3.8Å; F365-L417 HydrophobicContact CE2-CG 4.03Å; F365-L417 HydrophobicContact CZ-CD1 4.39Å; F365-L445 HydrophobicContact CZ-CD1 3.97Å; F365-I454 HydrophobicContact CE1-CG2 4.38Å; F365-P455 HydrophobicContact CD1-CG 4.42Å; F365-P455 WeakPolarHBondContact CE1-O 3.43Å; F365-P457 HydrophobicContact CE1-CB 4.16Å; F365-P457 HydrophobicContact CZ-CB 4.12Å; F365-K458 WeakPolarHBondContact O-CE 3.23Å
366	E	95.6	Very high	94.5	Very high	125 Å²	125	33.5 Å²	33.5	58%	0.584	18%	0.175	S	C	*	.	S	Bend	trans	-74.7	-37.7	173.5	-168.9	63.2	-169.8	0	0	111.6	Y415 K458	E366-Y415 WeakPolarHBondContact O-CD2 3.37Å; E366-Y415 VanDerWaalsContact O-CE2 3.31Å; E366-Y415 WeakPolarHBondContact O-CE2 3.43Å; E366-K458 VanDerWaalsContact OE2-CD 3.29Å; E366-K458 WeakPolarHBondContact OE2-CD 3.48Å; E366-K458 IonicContact OE2-NZ 3.51Å; E366-K458 PolarHBondContact OE2-NZ 3.31Å
367	E	95.4	Very high	94.5	Very high	125 Å²	125	32.9 Å²	32.9	58%	0.584	17%	0.171	S	C	*	.	S	Bend	trans	-139.2	147.9	178	-68.8	-65.5	159.9	0	0	108.9	F365 F369	F365-E367 WeakPolarHBondContact CB-O 3.3Å; E367-F369 PolarHBondContact O-N 3.36Å
368	P	95.6	Very high	94.5	Very high	48 Å²	48	33.2 Å²	33.2	31%	0.312	17%	0.172	S	C	.	.			trans	-74.6	130	178.9	31.3	-30.6	0	0	0	109.6	W370 Y415	P368-W370 HydrophobicContact CB-CD2 4.08Å; P368-W370 HydrophobicContact CB-CG 4.49Å; P368-W370 HydrophobicContact CB-CZ2 4.08Å; P368-Y415 HydrophobicContact CB-CD1 3.74Å; P368-Y415 HydrophobicContact CB-CE1 4.23Å; P368-Y415 HydrophobicContact CB-CG 4.15Å; P368-Y415 HydrophobicContact CG-CD1 3.67Å; P368-Y415 HydrophobicContact CG-CE1 3.63Å; P368-Y415 HydrophobicContact CG-CG 4.22Å
369	F	95.9	Very high	94.6	Very high	49 Å²	49	32.9 Å²	32.9	22%	0.215	17%	0.17	C	C	.	.	S	Bend	trans	-91.2	-4.7	169.3	65.6	-99.1	0	0	0	112.6	F365 E367 I377 L417 L445 T449 I454	F365-F369 HydrophobicContact CD1-CD1 4.28Å; F365-F369 HydrophobicContact CD1-CE1 4.21Å; F365-F369 HydrophobicContact CD2-CE1 4.33Å; F365-F369 HydrophobicContact CE1-CD1 4.27Å; F365-F369 AromaticContact CE1-CE1 3.84Å; F365-F369 HydrophobicContact CE1-CE1 3.84Å; F365-F369 AromaticContact CE2-CE1 3.97Å; F365-F369 HydrophobicContact CE2-CE1 3.97Å; F365-F369 HydrophobicContact CG-CE1 4.44Å; F365-F369 AromaticContact CZ-CE1 3.72Å; F365-F369 HydrophobicContact CZ-CE1 3.72Å; E367-F369 PolarHBondContact O-N 3.36Å; F369-I377 HydrophobicContact CE2-CD1 3.75Å; F369-I377 HydrophobicContact CZ-CD1 4.05Å; F369-L417 HydrophobicContact CE1-CD1 4.16Å; F369-L417 HydrophobicContact CZ-CD1 3.81Å; F369-L445 HydrophobicContact CE1-CD1 4.29Å; F369-L445 HydrophobicContact CZ-CD1 3.95Å; F369-L445 HydrophobicContact CZ-CD2 4.01Å; F369-L445 HydrophobicContact CZ-CG 4.39Å; F369-T449 HydrophobicContact CE2-CG2 4.27Å; F369-I454 HydrophobicContact CB-CG1 4.32Å; F369-I454 HydrophobicContact CD1-CG1 4.37Å; F369-I454 HydrophobicContact CD1-CG2 3.85Å; F369-I454 HydrophobicContact CD2-CD1 3.61Å; F369-I454 HydrophobicContact CD2-CG1 3.99Å; F369-I454 HydrophobicContact CE1-CG2 3.86Å; F369-I454 HydrophobicContact CE2-CD1 3.65Å; F369-I454 HydrophobicContact CE2-CG1 4.43Å; F369-I454 HydrophobicContact CG-CD1 4.08Å; F369-I454 HydrophobicContact CG-CG1 3.97Å; F369-I454 HydrophobicContact CG-CG2 4.31Å; F369-I454 HydrophobicContact CZ-CD1 4.13Å; F369-I454 HydrophobicContact CZ-CG2 4.34Å
370	W	94.1	Very high	94.6	Very high	30 Å²	30	32.9 Å²	32.9	11%	0.114	17%	0.17	C	C	.	.	S	Bend	trans	-100.5	160.3	177.6	57.3	88.4	0	0	0	111.2	F365 P368 C374 V406 L417	F365-W370 AromaticContact CD2-CH2 3.85Å; F365-W370 HydrophobicContact CD2-CH2 3.85Å; F365-W370 AromaticContact CD2-CZ3 3.74Å; F365-W370 HydrophobicContact CD2-CZ3 3.74Å; F365-W370 HydrophobicContact CE2-CZ3 4.15Å; F365-W370 HydrophobicContact CG-CZ3 4.3Å; P368-W370 HydrophobicContact CB-CD2 4.08Å; P368-W370 HydrophobicContact CB-CG 4.49Å; P368-W370 HydrophobicContact CB-CZ2 4.08Å; W370-C374 HydrophobicContact CB-CB 3.92Å; W370-C374 HydrophobicContact CG-CB 4.37Å; W370-V406 HydrophobicContact CD2-CG2 4.27Å; W370-V406 HydrophobicContact CG-CG2 4.17Å; W370-V406 HydrophobicContact CZ2-CG1 4.17Å; W370-L417 HydrophobicContact CD2-CD2 4.35Å; W370-L417 HydrophobicContact CE3-CD1 4.37Å; W370-L417 HydrophobicContact CE3-CD2 4.1Å; W370-L417 HydrophobicContact CE3-CG 4.36Å; W370-L417 HydrophobicContact CH2-CD2 3.94Å; W370-L417 HydrophobicContact CH2-CG 3.87Å; W370-L417 HydrophobicContact CZ2-CD2 4.2Å; W370-L417 HydrophobicContact CZ3-CD1 3.96Å; W370-L417 HydrophobicContact CZ3-CD2 3.89Å; W370-L417 HydrophobicContact CZ3-CG 3.75Å
371	S	90.7	Very high	94.6	Very high	38 Å²	38	32.7 Å²	32.7	27%	0.266	17%	0.169	S	C	.	.			trans	-78	156.1	177.4	61.3	0	0	0	0	112.2	E373 C374	S371-E373 VanDerWaalsContact CB-CD 3.47Å; S371-E373 WeakPolarHBondContact CB-OE1 3.43Å; S371-E373 WeakPolarHBondContact CB-OE2 3.27Å; S371-E373 PolarHBondContact O-N 2.65Å; S371-E373 VanDerWaalsContact O-N 3.15Å; S371-E373 PolarHBondContact OG-OE1 3.39Å; S371-E373 PolarHBondContact OG-OE2 2.8Å; S371-C374 WeakPolarHBondContact O-CB 3.4Å; S371-C374 PolarHBondContact O-N 2.53Å
372	P	86.2	Confident	94.5	Very high	111 Å²	111	35.4 Å²	35.4	72%	0.721	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.2	-179.7	-25.2	35.4	0	0	0	114.8	Y408	P372-Y408 PolarHBondContact O-OH 2.98Å; P372-Y408 VanDerWaalsContact O-OH 3.07Å
373	E	86.6	Confident	94.3	Very high	91 Å²	91	39 Å²	39	43%	0.425	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.5	173.4	70.8	-76.9	174.6	0	0	113.5	G119 V120 S371 N375	G119-E373 CarbonylContact C-O 3.4Å; G119-E373 WeakPolarHBondContact CA-O 3.02Å; V120-E373 PolarHBondContact N-O 3.43Å; S371-E373 VanDerWaalsContact CB-CD 3.47Å; S371-E373 WeakPolarHBondContact CB-OE1 3.43Å; S371-E373 WeakPolarHBondContact CB-OE2 3.27Å; S371-E373 PolarHBondContact O-N 2.65Å; S371-E373 VanDerWaalsContact O-N 3.15Å; S371-E373 PolarHBondContact OG-OE1 3.39Å; S371-E373 PolarHBondContact OG-OE2 2.8Å; E373-N375 PolarHBondContact O-N 3.14Å
374	C	90.4	Very high	94	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.9	176.7	-170.8	0	0	0	0	109.9	H122 W370 S371 V406 Y408	H122-C374 PolarHBondContact ND1-SG 3.24Å; H122-C374 VanDerWaalsContact ND1-SG 3.42Å; W370-C374 HydrophobicContact CB-CB 3.92Å; W370-C374 HydrophobicContact CG-CB 4.37Å; S371-C374 WeakPolarHBondContact O-CB 3.4Å; S371-C374 PolarHBondContact O-N 2.53Å; C374-V406 WeakPolarHBondContact O-CG2 2.98Å; C374-Y408 PolarHBondContact O-OH 2.78Å
375	N	89.3	Confident	93.7	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-33.9	174.3	-86.5	-8.2	0	0	0	112	Y115 T116 G119 V120 E373 V406	Y115-N375 WeakPolarHBondContact CB-ND2 3.41Å; Y115-N375 HydrophobicContact CD1-CB 3.65Å; Y115-N375 WeakPolarHBondContact CD1-ND2 3.42Å; Y115-N375 HydrophobicContact CE1-CB 4.1Å; T116-N375 PolarHBondContact N-OD1 3.09Å; T116-N375 PolarHBondContact OG1-OD1 3.29Å; G119-N375 VanDerWaalsContact CA-CG 3.45Å; G119-N375 WeakPolarHBondContact CA-ND2 3.26Å; G119-N375 PolarHBondContact O-ND2 2.93Å; V120-N375 PolarHBondContact O-N 3.36Å; E373-N375 PolarHBondContact O-N 3.14Å; N375-V406 PolarHBondContact O-N 2.8Å
376	S	92.7	Very high	93.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	157.9	-179.4	55	0	0	0	0	112.2	A121 H122 Q378 F404 D405	A121-S376 WeakPolarHBondContact CB-OG 3.48Å; H122-S376 WeakPolarHBondContact CB-O 3.38Å; H122-S376 PolarHBondContact N-O 2.95Å; S376-Q378 PolarHBondContact OG-NE2 2.94Å; S376-F404 CarbonylContact C-O 3.53Å; S376-F404 VanDerWaalsContact CA-O 3.27Å; S376-F404 WeakPolarHBondContact CA-O 3.31Å; S376-D405 WeakPolarHBondContact CB-OD1 3.36Å
377	I	96.2	Very high	92.7	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	108.6	177.5	-60.9	175.3	0	0	0	106	Q124 F369 F379 S403 F404 L445 T449	Q124-I377 VanDerWaalsContact NE2-CG2 3.34Å; F369-I377 HydrophobicContact CE2-CD1 3.75Å; F369-I377 HydrophobicContact CZ-CD1 4.05Å; I377-F379 HydrophobicContact CG2-CD1 4.13Å; I377-F379 HydrophobicContact CG2-CE1 3.45Å; I377-F379 VanDerWaalsContact CG2-CE1 3.45Å; I377-F379 HydrophobicContact CG2-CZ 4.16Å; I377-S403 CarbonylContact O-C 3.44Å; I377-S403 WeakPolarHBondContact O-CA 3.42Å; I377-S403 VanDerWaalsContact O-CB 3.29Å; I377-S403 WeakPolarHBondContact O-CB 3.5Å; I377-F404 PolarHBondContact N-O 3.11Å; I377-F404 PolarHBondContact O-N 3.08Å; I377-L445 HydrophobicContact CD1-CD2 3.91Å; I377-L445 HydrophobicContact CG2-CD2 4.32Å; I377-T449 HydrophobicContact CD1-CG2 4.45Å
378	Q	96.6	Very high	91.9	Very high	13 Å²	13	43.5 Å²	43.5	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.9	-173.7	-54.2	-76.7	-35	0	0	110	A121 H122 Y123 Q124 S376 S403	A121-Q378 HydrophobicContact CB-CG 4.29Å; H122-Q378 PolarHBondContact O-N 2.94Å; Y123-Q378 HydrophobicContact CD1-CB 3.58Å; Y123-Q378 HydrophobicContact CD1-CG 4.13Å; Y123-Q378 HydrophobicContact CD2-CB 4.22Å; Y123-Q378 HydrophobicContact CD2-CG 4.05Å; Y123-Q378 HydrophobicContact CE1-CB 3.73Å; Y123-Q378 HydrophobicContact CE1-CG 3.92Å; Y123-Q378 HydrophobicContact CE2-CB 4.36Å; Y123-Q378 HydrophobicContact CE2-CG 3.85Å; Y123-Q378 HydrophobicContact CG-CB 3.84Å; Y123-Q378 HydrophobicContact CG-CG 4.19Å; Q124-Q378 PolarHBondContact N-O 3.46Å; S376-Q378 PolarHBondContact OG-NE2 2.94Å; Q378-S403 VanDerWaalsContact CD-CB 3.44Å
379	F	97.7	Very high	90.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	102.2	-171.1	-59.7	-37.6	0	0	0	112.6	Q200 I377 I401 C402 F404 L444 L445 F448	Q200-F379 WeakPolarHBondContact CG-O 3.09Å; I377-F379 HydrophobicContact CG2-CD1 4.13Å; I377-F379 HydrophobicContact CG2-CE1 3.45Å; I377-F379 VanDerWaalsContact CG2-CE1 3.45Å; I377-F379 HydrophobicContact CG2-CZ 4.16Å; F379-I401 HydrophobicContact CD2-CG2 4.17Å; F379-I401 HydrophobicContact CE2-CG2 3.97Å; F379-C402 PolarHBondContact N-O 2.94Å; F379-F404 AromaticContact CE2-CD2 3.54Å; F379-F404 HydrophobicContact CE2-CD2 3.54Å; F379-F404 AromaticContact CE2-CE2 3.77Å; F379-F404 HydrophobicContact CE2-CE2 3.77Å; F379-F404 AromaticContact CZ-CD2 3.59Å; F379-F404 HydrophobicContact CZ-CD2 3.59Å; F379-F404 HydrophobicContact CZ-CE2 4.05Å; F379-L444 HydrophobicContact CD2-CD2 3.65Å; F379-L444 HydrophobicContact CD2-CG 4.05Å; F379-L444 HydrophobicContact CE1-CG 4.36Å; F379-L444 HydrophobicContact CE2-CD2 3.27Å; F379-L444 HydrophobicContact CE2-CG 3.66Å; F379-L444 HydrophobicContact CZ-CD2 3.91Å; F379-L444 HydrophobicContact CZ-CG 3.8Å; F379-L445 HydrophobicContact CE1-CD2 4.45Å; F379-L445 HydrophobicContact CZ-CD2 3.99Å; F379-F448 HydrophobicContact CB-CD1 4.05Å; F379-F448 HydrophobicContact CB-CD2 4.5Å; F379-F448 HydrophobicContact CB-CE1 3.72Å; F379-F448 HydrophobicContact CB-CE2 4.21Å; F379-F448 HydrophobicContact CB-CG 4.41Å; F379-F448 HydrophobicContact CB-CZ 3.79Å; F379-F448 HydrophobicContact CD1-CB 3.59Å; F379-F448 AromaticContact CD1-CD1 3.6Å; F379-F448 HydrophobicContact CD1-CD1 3.6Å; F379-F448 AromaticContact CD1-CD2 3.72Å; F379-F448 HydrophobicContact CD1-CD2 3.72Å; F379-F448 HydrophobicContact CD1-CE1 4.16Å; F379-F448 HydrophobicContact CD1-CE2 4.27Å; F379-F448 AromaticContact CD1-CG 3.33Å; F379-F448 HydrophobicContact CD1-CG 3.33Å; F379-F448 HydrophobicContact CD1-CZ 4.45Å; F379-F448 HydrophobicContact CE1-CB 3.64Å; F379-F448 HydrophobicContact CE1-CD1 4.49Å; F379-F448 HydrophobicContact CE1-CD2 4.13Å; F379-F448 AromaticContact CE1-CG 3.84Å; F379-F448 HydrophobicContact CE1-CG 3.84Å; F379-F448 HydrophobicContact CG-CD1 4.22Å; F379-F448 HydrophobicContact CG-CD2 4.21Å; F379-F448 HydrophobicContact CG-CE1 4.33Å; F379-F448 HydrophobicContact CG-CE2 4.32Å; F379-F448 HydrophobicContact CG-CG 4.14Å; F379-F448 HydrophobicContact CG-CZ 4.36Å
380	V	97.8	Very high	89.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	109.1	178.2	-177.7	0	0	0	0	111	Y123 Q124 T125 N126 I131 L193 S196 M197 Q200 E382 F448	Y123-V380 HydrophobicContact CD1-CG2 3.89Å; Q124-V380 WeakPolarHBondContact O-CB 3.02Å; Q124-V380 PolarHBondContact O-N 3.35Å; T125-V380 VanDerWaalsContact CA-O 3.27Å; T125-V380 WeakPolarHBondContact CA-O 3.21Å; N126-V380 PolarHBondContact N-O 3.31Å; I131-V380 HydrophobicContact CD1-CB 3.97Å; I131-V380 HydrophobicContact CD1-CG1 3.99Å; I131-V380 HydrophobicContact CD1-CG2 3.78Å; L193-V380 HydrophobicContact CD1-CG1 4.3Å; S196-V380 VanDerWaalsContact CB-CG1 3.47Å; M197-V380 HydrophobicContact CG-CG1 4.06Å; M197-V380 HydrophobicContact CG-CG2 4.1Å; Q200-V380 HydrophobicContact CB-CG2 4.24Å; Q200-V380 HydrophobicContact CG-CG2 4.18Å; V380-E382 PolarHBondContact O-N 2.83Å; V380-F448 WeakPolarHBondContact O-CE1 3.32Å
381	W	97.1	Very high	89.2	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	26%	0.264	C	S	.	.			trans	-85.6	110.6	179.4	-67.4	91.6	0	0	0	111.3	N126 S196 K203 D383 E384 Y398 K399 L444 R447 F448	N126-W381 HydrophobicContact CB-CD2 4.19Å; N126-W381 HydrophobicContact CB-CE3 3.52Å; N126-W381 HydrophobicContact CB-CZ3 3.74Å; S196-W381 WeakPolarHBondContact CB-O 3.46Å; S196-W381 PolarHBondContact OG-O 3.39Å; K203-W381 VanDerWaalsContact NZ-CD1 3.35Å; W381-D383 PolarHBondContact O-N 3.36Å; W381-E384 HydrophobicContact CB-CB 4.15Å; W381-E384 HydrophobicContact CB-CG 3.58Å; W381-E384 WeakPolarHBondContact CB-OE2 3.13Å; W381-E384 HydrophobicContact CG-CG 4.4Å; W381-E384 PolarHBondContact O-N 3.23Å; W381-Y398 AromaticContact CH2-CE2 3.98Å; W381-Y398 HydrophobicContact CH2-CE2 3.98Å; W381-Y398 HydrophobicContact CZ2-CD2 4.35Å; W381-Y398 HydrophobicContact CZ2-CE2 4.24Å; W381-K399 HydrophobicContact CD2-CG 4.37Å; W381-K399 HydrophobicContact CH2-CG 4.11Å; W381-K399 HydrophobicContact CZ2-CB 4.43Å; W381-K399 HydrophobicContact CZ2-CG 3.8Å; W381-K399 HydrophobicContact CZ3-CG 4.47Å; W381-L444 HydrophobicContact CH2-CD1 4.03Å; W381-L444 HydrophobicContact CZ2-CD1 3.55Å; W381-R447 VanDerWaalsContact CZ3-CZ 3.44Å; W381-F448 HydrophobicContact CD2-CE2 4.29Å; W381-F448 AromaticContact CD2-CZ 3.73Å; W381-F448 HydrophobicContact CD2-CZ 3.73Å; W381-F448 AromaticContact CE2-CE2 3.78Å; W381-F448 AromaticContact CE2-CZ 3.53Å; W381-F448 HydrophobicContact CE3-CZ 4.15Å; W381-F448 HydrophobicContact CG-CZ 4.16Å; W381-F448 AromaticContact CH2-CE2 3.75Å; W381-F448 HydrophobicContact CH2-CE2 3.75Å; W381-F448 HydrophobicContact CH2-CZ 4.17Å; W381-F448 AromaticContact CZ2-CE2 3.51Å; W381-F448 HydrophobicContact CZ2-CE2 3.51Å; W381-F448 AromaticContact CZ2-CZ 3.79Å; W381-F448 HydrophobicContact CZ2-CZ 3.79Å; W381-F448 HydrophobicContact CZ3-CE2 4.27Å; W381-F448 HydrophobicContact CZ3-CZ 4.35Å; W381-F448 AromaticContact NE1-CZ 3.84Å
382	E	95.3	Very high	89	Confident	57 Å²	57	48.9 Å²	48.9	27%	0.266	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-67.6	-23.3	-177.6	-70.3	-177	74.2	0	0	113.6	T125 N126 V127 K192 L193 S196 V380 E384	T125-E382 WeakPolarHBondContact CB-OE2 3.41Å; T125-E382 HydrophobicContact CG2-CG 3.96Å; T125-E382 PolarHBondContact OG1-OE2 2.92Å; N126-E382 WeakPolarHBondContact OD1-CB 3.45Å; N126-E382 PolarHBondContact OD1-N 2.95Å; V127-E382 WeakPolarHBondContact CG2-OE2 3.41Å; K192-E382 VanDerWaalsContact CE-O 3.25Å; K192-E382 WeakPolarHBondContact CE-O 3.41Å; L193-E382 HydrophobicContact CD1-CG 4.47Å; S196-E382 VanDerWaalsContact OG-CA 3.27Å; S196-E382 WeakPolarHBondContact OG-CA 3.25Å; V380-E382 PolarHBondContact O-N 2.83Å; E382-E384 VanDerWaalsContact C-N 3.28Å
383	D	93.4	Very high	89.1	Confident	86 Å²	86	47 Å²	47	46%	0.46	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-79.5	-6.8	176.8	56.6	-42.7	0	0	0	113.4	N126 W381 K399	N126-D383 PolarHBondContact ND2-OD1 2.99Å; W381-D383 PolarHBondContact O-N 3.36Å; D383-K399 IonicContact OD1-NZ 3.38Å; D383-K399 IonicContact OD2-NZ 2.65Å; D383-K399 PolarHBondContact OD2-NZ 2.71Å
384	E	93.7	Very high	89.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-96.4	-7.8	179.6	-62.4	-178.3	166.7	0	0	113.9	Q199 K203 W381 E382 Q386 L387 L390 Y392	Q199-E384 HydrophobicContact CB-CB 4.29Å; Q199-E384 HydrophobicContact CG-CB 4.06Å; Q199-E384 WeakPolarHBondContact CG-O 3.49Å; K203-E384 VanDerWaalsContact CE-OE2 3.29Å; K203-E384 WeakPolarHBondContact CE-OE2 3.47Å; K203-E384 VanDerWaalsContact NZ-CD 3.34Å; K203-E384 IonicContact NZ-OE1 2.63Å; K203-E384 PolarHBondContact NZ-OE1 2.81Å; K203-E384 IonicContact NZ-OE2 3.94Å; K203-E384 PolarHBondContact NZ-OE2 2.9Å; W381-E384 HydrophobicContact CB-CB 4.15Å; W381-E384 HydrophobicContact CB-CG 3.58Å; W381-E384 WeakPolarHBondContact CB-OE2 3.13Å; W381-E384 HydrophobicContact CG-CG 4.4Å; W381-E384 PolarHBondContact O-N 3.23Å; E382-E384 VanDerWaalsContact C-N 3.28Å; E384-Q386 PolarHBondContact O-N 3.08Å; E384-L387 HydrophobicContact CB-CD1 4.06Å; E384-L387 HydrophobicContact CG-CD1 3.95Å; E384-L387 WeakPolarHBondContact O-CB 3.29Å; E384-L387 PolarHBondContact O-N 2.77Å; E384-L390 HydrophobicContact CB-CD2 4.23Å; E384-L390 HydrophobicContact CG-CD2 4.13Å; E384-Y392 VanDerWaalsContact CD-OH 3.28Å; E384-Y392 VanDerWaalsContact OE1-CE1 3.29Å; E384-Y392 WeakPolarHBondContact OE1-CE1 3.49Å; E384-Y392 PolarHBondContact OE1-OH 3.43Å; E384-Y392 PolarHBondContact OE2-OH 2.98Å
385	A	90.6	Very high	89.2	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-37.8	-172.9	0	0	0	0	0	114.3	K192 L195 S196	K192-A385 HydrophobicContact CG-CB 3.7Å; K192-A385 WeakPolarHBondContact O-CB 3.29Å; L195-A385 HydrophobicContact CB-CB 3.95Å; L195-A385 WeakPolarHBondContact CB-O 3.32Å; S196-A385 WeakPolarHBondContact OG-CB 3.34Å
386	Q	86.3	Confident	89.4	Confident	164 Å²	164	55.8 Å²	55.8	77%	0.766	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	1.1	-175	-64.5	-174.3	-8.8	0	0	113.5	E384 E388	E384-Q386 PolarHBondContact O-N 3.08Å; Q386-E388 PolarHBondContact O-N 3.39Å
387	L	85.5	Confident	89.6	Confident	72 Å²	72	56.1 Å²	56.1	38%	0.377	29%	0.292	S	S	.	.			trans	-71.7	132.5	-179.7	-63.4	179.3	0	0	0	110.5	Q199 E384 L390	Q199-L387 PolarHBondContact NE2-O 3.16Å; E384-L387 HydrophobicContact CB-CD1 4.06Å; E384-L387 HydrophobicContact CG-CD1 3.95Å; E384-L387 WeakPolarHBondContact O-CB 3.29Å; E384-L387 PolarHBondContact O-N 2.77Å; L387-L390 HydrophobicContact CB-CD2 4.13Å; L387-L390 HydrophobicContact CD1-CD2 3.63Å
388	E	78.6	Confident	89.6	Confident	138 Å²	138	58.6 Å²	58.6	65%	0.645	30%	0.301	S	S	*	.	S	Bend	trans	-84.3	-32.2	172.7	-67.1	-176.9	174.2	0	0	111.5	R173 Q386	R173-E388 PolarHBondContact NE-O 3.38Å; R173-E388 PolarHBondContact NH1-O 3.19Å; R173-E388 VanDerWaalsContact NH1-O 3.09Å; R173-E388 PolarHBondContact NH2-O 3.12Å; R173-E388 VanDerWaalsContact NH2-O 3.16Å; Q386-E388 PolarHBondContact O-N 3.39Å
389	Q	74	Confident	89.6	Confident	138 Å²	138	59 Å²	59	65%	0.645	30%	0.303	S	S	*	.	S	Bend	trans	-135.5	135.6	176.4	-71.2	178.3	-10.6	0	0	109.7
390	L	75.7	Confident	89.5	Confident	26 Å²	26	59.1 Å²	59.1	14%	0.136	30%	0.303	C	S	.	.			trans	-95.6	100	172.3	-64.1	177.3	0	0	0	108.5	Q199 K203 E384 L387 Y392	Q199-L390 HydrophobicContact CB-CD1 4.24Å; Q199-L390 VanDerWaalsContact OE1-CD1 3.25Å; K203-L390 HydrophobicContact CG-CD1 4.23Å; E384-L390 HydrophobicContact CB-CD2 4.23Å; E384-L390 HydrophobicContact CG-CD2 4.13Å; L387-L390 HydrophobicContact CB-CD2 4.13Å; L387-L390 HydrophobicContact CD1-CD2 3.63Å; L390-Y392 HydrophobicContact CB-CE2 4.34Å
391	A	78.8	Confident	89.5	Confident	83 Å²	83	59.1 Å²	59.1	69%	0.686	30%	0.303	S	S	*	.			trans	-122.4	120.7	165.1	0	0	0	0	0	107.3
392	Y	86.3	Confident	89.2	Confident	30 Å²	30	59.1 Å²	59.1	12%	0.118	30%	0.304	C	S	.	.			trans	-95.1	133	-179.4	-59.8	-64.3	0	0	0	110.3	K203 E384 L390 K399 K400 E425	K203-Y392 WeakPolarHBondContact CE-OH 3.19Å; K203-Y392 PolarHBondContact NZ-OH 3.13Å; E384-Y392 VanDerWaalsContact CD-OH 3.28Å; E384-Y392 VanDerWaalsContact OE1-CE1 3.29Å; E384-Y392 WeakPolarHBondContact OE1-CE1 3.49Å; E384-Y392 PolarHBondContact OE1-OH 3.43Å; E384-Y392 PolarHBondContact OE2-OH 2.98Å; L390-Y392 HydrophobicContact CB-CE2 4.34Å; Y392-K399 HydrophobicContact CD1-CB 3.7Å; Y392-K399 HydrophobicContact CD1-CD 3.82Å; Y392-K399 HydrophobicContact CD1-CG 4.32Å; Y392-K399 HydrophobicContact CD2-CB 4.35Å; Y392-K399 HydrophobicContact CE1-CB 3.41Å; Y392-K399 VanDerWaalsContact CE1-CB 3.41Å; Y392-K399 HydrophobicContact CE1-CD 3.59Å; Y392-K399 HydrophobicContact CE1-CG 4.15Å; Y392-K399 HydrophobicContact CE2-CB 4.1Å; Y392-K399 HydrophobicContact CG-CB 4.17Å; Y392-K400 HydrophobicContact CD2-CB 4.3Å; Y392-K400 HydrophobicContact CD2-CD 4.44Å; Y392-K400 HydrophobicContact CE2-CB 4.2Å; Y392-K400 HydrophobicContact CE2-CD 4.01Å; Y392-E425 HydrophobicContact CD2-CG 4.03Å; Y392-E425 WeakPolarHBondContact CD2-OE1 3.43Å
393	P	87.9	Confident	89.2	Confident	72 Å²	72	56.5 Å²	56.5	47%	0.468	29%	0.292	S	S	.	.			trans	-50.2	151.4	157.6	-26.9	36.9	0	0	0	110.7	D395 L396	P393-D395 WeakPolarHBondContact CB-OD1 3.23Å; P393-D395 PolarHBondContact O-N 3.33Å; P393-D395 VanDerWaalsContact O-N 3.17Å; P393-L396 HydrophobicContact CG-CD1 4.38Å; P393-L396 PolarHBondContact O-N 3.41Å
394	E	87.9	Confident	89.4	Confident	123 Å²	123	52.4 Å²	52.4	58%	0.575	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-54.6	-38	-176.9	-76.9	-157	130.3	0	0	112.8	L396 W397 H428 R431	E394-L396 PolarHBondContact O-N 3.45Å; E394-W397 VanDerWaalsContact O-CD1 3.22Å; E394-W397 PolarHBondContact O-N 3.41Å; E394-H428 IonicContact OE1-ND1 2.62Å; E394-H428 PolarHBondContact OE1-ND1 3Å; E394-R431 IonicContact OE1-NH2 3.14Å; E394-R431 PolarHBondContact OE1-NH2 3.19Å
395	D	91.1	Very high	89.4	Confident	118 Å²	118	52.5 Å²	52.5	63%	0.631	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-69.8	-10.6	178.6	62.5	-49.9	0	0	0	114.3	P393 Y398	P393-D395 WeakPolarHBondContact CB-OD1 3.23Å; P393-D395 PolarHBondContact O-N 3.33Å; P393-D395 VanDerWaalsContact O-N 3.17Å; D395-Y398 VanDerWaalsContact O-CE1 3.28Å; D395-Y398 WeakPolarHBondContact O-CE1 3.34Å
396	L	95.1	Very high	89.5	Confident	44 Å²	44	52.6 Å²	52.6	23%	0.23	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-112.9	18	179.3	-62.2	-178.1	0	0	0	113.1	P393 E394 Y398 K399	P393-L396 HydrophobicContact CG-CD1 4.38Å; P393-L396 PolarHBondContact O-N 3.41Å; E394-L396 PolarHBondContact O-N 3.45Å; L396-Y398 HydrophobicContact CD2-CE1 4.02Å; L396-Y398 VanDerWaalsContact CD2-OH 3.23Å; L396-Y398 WeakPolarHBondContact CD2-OH 3.49Å; L396-Y398 PolarHBondContact O-N 2.82Å; L396-K399 HydrophobicContact CB-CD 4.42Å; L396-K399 HydrophobicContact CB-CG 4.47Å; L396-K399 WeakPolarHBondContact O-CB 3.15Å; L396-K399 PolarHBondContact O-N 3.24Å
397	W	96.1	Very high	89.6	Confident	10 Å²	10	46 Å²	46	4%	0.038	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-49	-36.5	179.6	67.3	-95.8	0	0	0	113.2	E394 K399 K400 I401 I421 E425 H428 M429 V437 T440	E394-W397 VanDerWaalsContact O-CD1 3.22Å; E394-W397 PolarHBondContact O-N 3.41Å; W397-K399 PolarHBondContact O-N 3.49Å; W397-K399 VanDerWaalsContact O-N 3.14Å; W397-K400 VanDerWaalsContact O-CB 3.27Å; W397-K400 WeakPolarHBondContact O-CB 3.3Å; W397-K400 PolarHBondContact O-N 3.02Å; W397-I401 HydrophobicContact CH2-CD1 4.49Å; W397-I401 HydrophobicContact CZ3-CD1 3.93Å; W397-I401 HydrophobicContact CZ3-CG1 4.49Å; W397-I421 HydrophobicContact CE3-CD1 3.48Å; W397-I421 VanDerWaalsContact CE3-CD1 3.48Å; W397-I421 HydrophobicContact CZ3-CD1 3.78Å; W397-E425 HydrophobicContact CB-CB 3.99Å; W397-E425 HydrophobicContact CB-CG 4.22Å; W397-H428 HydrophobicContact CB-CB 4.2Å; W397-H428 AromaticContact CD1-CD2 3.15Å; W397-H428 AromaticContact CD1-NE2 3.58Å; W397-H428 AromaticContact CG-CD2 3.57Å; W397-H428 AromaticContact NE1-CD2 3.71Å; W397-M429 HydrophobicContact CD2-CB 4.33Å; W397-M429 HydrophobicContact CE3-CB 3.75Å; W397-M429 HydrophobicContact CE3-CG 4.15Å; W397-M429 HydrophobicContact CH2-CB 4.15Å; W397-M429 HydrophobicContact CH2-CG 3.72Å; W397-M429 HydrophobicContact CZ3-CB 3.64Å; W397-M429 HydrophobicContact CZ3-CG 3.5Å; W397-M429 VanDerWaalsContact CZ3-CG 3.5Å; W397-V437 HydrophobicContact CH2-CG1 4.23Å; W397-V437 HydrophobicContact CH2-CG2 4.41Å; W397-T440 HydrophobicContact CH2-CG2 4.11Å; W397-T440 HydrophobicContact CZ2-CG2 3.77Å
398	Y	96.6	Very high	89.4	Confident	54 Å²	54	43.6 Å²	43.6	21%	0.212	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-64.3	-18.6	-178.4	62.6	-98.2	0	0	0	113.7	W381 D395 L396 K400 I401 T440 L444	W381-Y398 AromaticContact CH2-CE2 3.98Å; W381-Y398 HydrophobicContact CH2-CE2 3.98Å; W381-Y398 HydrophobicContact CZ2-CD2 4.35Å; W381-Y398 HydrophobicContact CZ2-CE2 4.24Å; D395-Y398 VanDerWaalsContact O-CE1 3.28Å; D395-Y398 WeakPolarHBondContact O-CE1 3.34Å; L396-Y398 HydrophobicContact CD2-CE1 4.02Å; L396-Y398 VanDerWaalsContact CD2-OH 3.23Å; L396-Y398 WeakPolarHBondContact CD2-OH 3.49Å; L396-Y398 PolarHBondContact O-N 2.82Å; Y398-K400 PolarHBondContact O-N 2.93Å; Y398-I401 WeakPolarHBondContact O-CB 3.39Å; Y398-I401 PolarHBondContact O-N 3.06Å; Y398-I401 VanDerWaalsContact O-N 3.13Å; Y398-T440 VanDerWaalsContact CB-CG2 3.43Å; Y398-T440 HydrophobicContact CD1-CG2 3.73Å; Y398-T440 HydrophobicContact CG-CG2 3.69Å; Y398-L444 HydrophobicContact CD2-CD1 4.33Å
399	K	96	Very high	89.6	Confident	22 Å²	22	38.1 Å²	38.1	10%	0.096	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64	-18.7	172.9	-74.8	-165.9	156.8	-163.5	0	112.6	K203 W381 D383 Y392 L396 W397 I401	K203-K399 PolarHBondContact NZ-O 3Å; W381-K399 HydrophobicContact CD2-CG 4.37Å; W381-K399 HydrophobicContact CH2-CG 4.11Å; W381-K399 HydrophobicContact CZ2-CB 4.43Å; W381-K399 HydrophobicContact CZ2-CG 3.8Å; W381-K399 HydrophobicContact CZ3-CG 4.47Å; D383-K399 IonicContact OD1-NZ 3.38Å; D383-K399 IonicContact OD2-NZ 2.65Å; D383-K399 PolarHBondContact OD2-NZ 2.71Å; Y392-K399 HydrophobicContact CD1-CB 3.7Å; Y392-K399 HydrophobicContact CD1-CD 3.82Å; Y392-K399 HydrophobicContact CD1-CG 4.32Å; Y392-K399 HydrophobicContact CD2-CB 4.35Å; Y392-K399 HydrophobicContact CE1-CB 3.41Å; Y392-K399 VanDerWaalsContact CE1-CB 3.41Å; Y392-K399 HydrophobicContact CE1-CD 3.59Å; Y392-K399 HydrophobicContact CE1-CG 4.15Å; Y392-K399 HydrophobicContact CE2-CB 4.1Å; Y392-K399 HydrophobicContact CG-CB 4.17Å; L396-K399 HydrophobicContact CB-CD 4.42Å; L396-K399 HydrophobicContact CB-CG 4.47Å; L396-K399 WeakPolarHBondContact O-CB 3.15Å; L396-K399 PolarHBondContact O-N 3.24Å; W397-K399 PolarHBondContact O-N 3.49Å; W397-K399 VanDerWaalsContact O-N 3.14Å; K399-I401 VanDerWaalsContact C-N 3.34Å
400	K	95.9	Very high	90.1	Very high	3 Å²	3	34 Å²	34	1%	0.013	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-74.4	-23.4	175.2	-164.5	66.9	169.8	-170.6	0	113.1	P212 Y392 W397 Y398 C402 I421 C422 E425	P212-K400 WeakPolarHBondContact O-CE 3.41Å; P212-K400 PolarHBondContact O-NZ 3.21Å; Y392-K400 HydrophobicContact CD2-CB 4.3Å; Y392-K400 HydrophobicContact CD2-CD 4.44Å; Y392-K400 HydrophobicContact CE2-CB 4.2Å; Y392-K400 HydrophobicContact CE2-CD 4.01Å; W397-K400 VanDerWaalsContact O-CB 3.27Å; W397-K400 WeakPolarHBondContact O-CB 3.3Å; W397-K400 PolarHBondContact O-N 3.02Å; Y398-K400 PolarHBondContact O-N 2.93Å; K400-C402 PolarHBondContact O-N 2.64Å; K400-C402 VanDerWaalsContact O-N 3.12Å; K400-I421 HydrophobicContact CB-CD1 4.41Å; K400-I421 HydrophobicContact CB-CG1 4.13Å; K400-I421 HydrophobicContact CG-CG1 4.18Å; K400-C422 VanDerWaalsContact CE-SG 3.56Å; K400-C422 WeakPolarHBondContact CG-O 3.36Å; K400-E425 HydrophobicContact CB-CB 3.7Å; K400-E425 HydrophobicContact CB-CG 3.86Å; K400-E425 HydrophobicContact CG-CB 4.01Å; K400-E425 HydrophobicContact CG-CG 4.25Å
401	I	96.7	Very high	90.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.			trans	-63	115.2	173.2	-56.4	172.9	0	0	0	107.9	I361 F379 W397 Y398 K399 F404 I421 L444	I361-I401 HydrophobicContact CD1-CD1 4.08Å; F379-I401 HydrophobicContact CD2-CG2 4.17Å; F379-I401 HydrophobicContact CE2-CG2 3.97Å; W397-I401 HydrophobicContact CH2-CD1 4.49Å; W397-I401 HydrophobicContact CZ3-CD1 3.93Å; W397-I401 HydrophobicContact CZ3-CG1 4.49Å; Y398-I401 WeakPolarHBondContact O-CB 3.39Å; Y398-I401 PolarHBondContact O-N 3.06Å; Y398-I401 VanDerWaalsContact O-N 3.13Å; K399-I401 VanDerWaalsContact C-N 3.34Å; I401-F404 HydrophobicContact CG2-CD2 4.48Å; I401-F404 HydrophobicContact CG2-CE2 3.93Å; I401-F404 HydrophobicContact CG2-CZ 4.22Å; I401-I421 HydrophobicContact CG1-CB 4.36Å; I401-I421 HydrophobicContact CG1-CD1 4.17Å; I401-L444 HydrophobicContact CB-CD2 4.07Å; I401-L444 HydrophobicContact CD1-CD2 4.18Å; I401-L444 HydrophobicContact CG2-CD2 4.2Å
402	C	92.3	Very high	90.9	Very high	1 Å²	1	39 Å²	39	1%	0.007	19%	0.194	C	C	.	.			trans	-90.4	-27.5	-173.2	61.6	0	0	0	0	113.3	Q200 K203 V204 F379 K400	Q200-C402 PolarHBondContact NE2-O 2.91Å; Q200-C402 VanDerWaalsContact NE2-O 3.08Å; K203-C402 HydrophobicContact CB-CB 3.76Å; V204-C402 HydrophobicContact CG2-CB 3.92Å; F379-C402 PolarHBondContact N-O 2.94Å; K400-C402 PolarHBondContact O-N 2.64Å; K400-C402 VanDerWaalsContact O-N 3.12Å
403	S	95.1	Very high	91	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	168.2	-178	63.9	0	0	0	0	112.5	I377 Q378 G419	I377-S403 CarbonylContact O-C 3.44Å; I377-S403 WeakPolarHBondContact O-CA 3.42Å; I377-S403 VanDerWaalsContact O-CB 3.29Å; I377-S403 WeakPolarHBondContact O-CB 3.5Å; Q378-S403 VanDerWaalsContact CD-CB 3.44Å; S403-G419 WeakPolarHBondContact O-CA 3.43Å
404	F	96.6	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.8	159	-79.3	-80.4	0	0	0	109.5	I361 L363 S376 I377 F379 I401 L417 S418 G419 C441 L445	I361-F404 HydrophobicContact CB-CE1 4.35Å; I361-F404 HydrophobicContact CG2-CE1 4.31Å; L363-F404 HydrophobicContact CD1-CD1 4.04Å; L363-F404 HydrophobicContact CD1-CE1 3.45Å; L363-F404 VanDerWaalsContact CD1-CE1 3.45Å; L363-F404 HydrophobicContact CD1-CE2 4.27Å; L363-F404 HydrophobicContact CD1-CZ 3.6Å; L363-F404 HydrophobicContact CG-CD1 4.49Å; L363-F404 HydrophobicContact CG-CE1 3.86Å; L363-F404 HydrophobicContact CG-CZ 4.38Å; S376-F404 CarbonylContact C-O 3.53Å; S376-F404 VanDerWaalsContact CA-O 3.27Å; S376-F404 WeakPolarHBondContact CA-O 3.31Å; I377-F404 PolarHBondContact N-O 3.11Å; I377-F404 PolarHBondContact O-N 3.08Å; F379-F404 AromaticContact CE2-CD2 3.54Å; F379-F404 HydrophobicContact CE2-CD2 3.54Å; F379-F404 AromaticContact CE2-CE2 3.77Å; F379-F404 HydrophobicContact CE2-CE2 3.77Å; F379-F404 AromaticContact CZ-CD2 3.59Å; F379-F404 HydrophobicContact CZ-CD2 3.59Å; F379-F404 HydrophobicContact CZ-CE2 4.05Å; I401-F404 HydrophobicContact CG2-CD2 4.48Å; I401-F404 HydrophobicContact CG2-CE2 3.93Å; I401-F404 HydrophobicContact CG2-CZ 4.22Å; F404-L417 HydrophobicContact CB-CB 4.12Å; F404-L417 HydrophobicContact CB-CD1 4.14Å; F404-L417 HydrophobicContact CD1-CB 3.96Å; F404-L417 HydrophobicContact CG-CB 4.33Å; F404-L417 HydrophobicContact CG-CD1 4.45Å; F404-S418 CarbonylContact C-O 3.42Å; F404-S418 WeakPolarHBondContact CA-O 3.38Å; F404-G419 VanDerWaalsContact CD1-CA 3.44Å; F404-G419 VanDerWaalsContact CD1-N 3.28Å; F404-C441 HydrophobicContact CE2-CB 4.41Å; F404-C441 HydrophobicContact CZ-CB 4.03Å; F404-L445 HydrophobicContact CD2-CD2 4.05Å
405	D	93.4	Very high	91.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	143.6	172.1	-59.8	-58.7	0	0	0	110.8	I112 S113 S376 L417 S418	I112-D405 VanDerWaalsContact CG2-OD2 3.24Å; I112-D405 WeakPolarHBondContact CG2-OD2 3.46Å; S113-D405 WeakPolarHBondContact OG-CB 3.38Å; S376-D405 WeakPolarHBondContact CB-OD1 3.36Å; D405-L417 CarbonylContact O-C 3.51Å; D405-L417 VanDerWaalsContact O-CA 3.26Å; D405-L417 WeakPolarHBondContact O-CA 3.5Å; D405-S418 PolarHBondContact N-O 3.48Å; D405-S418 PolarHBondContact O-N 3.37Å
406	V	92.8	Very high	91.6	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127	172.4	179.9	0	0	0	0	108.2	W370 C374 N375 Y408 L417	W370-V406 HydrophobicContact CD2-CG2 4.27Å; W370-V406 HydrophobicContact CG-CG2 4.17Å; W370-V406 HydrophobicContact CZ2-CG1 4.17Å; C374-V406 WeakPolarHBondContact O-CG2 2.98Å; N375-V406 PolarHBondContact O-N 2.8Å; V406-Y408 HydrophobicContact CB-CD2 4.26Å; V406-Y408 HydrophobicContact CB-CE2 3.63Å; V406-Y408 HydrophobicContact CG1-CD2 4Å; V406-Y408 HydrophobicContact CG1-CE1 4.45Å; V406-Y408 HydrophobicContact CG1-CE2 3.39Å; V406-Y408 WeakPolarHBondContact O-CD2 3.32Å; V406-L417 HydrophobicContact CB-CD2 4.34Å; V406-L417 HydrophobicContact CG2-CD2 3.63Å
407	L	88.6	Confident	91.7	Very high	24 Å²	24	27.3 Å²	27.3	13%	0.126	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-82.3	125.7	176.4	-59.9	-170.8	0	0	0	111.2	L74 F362 Y413 M416	L74-L407 HydrophobicContact CD2-CD1 3.72Å; F362-L407 HydrophobicContact CD1-CD1 4Å; F362-L407 HydrophobicContact CE1-CD1 3.88Å; L407-Y413 HydrophobicContact CB-CD1 4.17Å; L407-Y413 HydrophobicContact CB-CD2 3.98Å; L407-Y413 HydrophobicContact CB-CG 3.71Å; L407-Y413 HydrophobicContact CD1-CD1 3.88Å; L407-Y413 HydrophobicContact CD1-CE1 4.31Å; L407-Y413 HydrophobicContact CD1-CG 4.27Å; L407-M416 HydrophobicContact CB-CB 4.26Å; L407-M416 HydrophobicContact CD1-CB 4.23Å; L407-M416 HydrophobicContact CD1-CG 3.69Å; L407-M416 HydrophobicContact CG-CB 4.38Å; L407-M416 HydrophobicContact CG-CG 4.19Å; L407-M416 PolarHBondContact N-O 3.29Å
408	Y	82.3	Confident	91.7	Very high	22 Å²	22	27 Å²	27	9%	0.086	13%	0.133	C	C	.	.	S	Bend	trans	-116	149	177.9	-75	-84.7	0	0	0	111.7	T116 P372 C374 V406 P410 Y413	T116-Y408 HydrophobicContact CG2-CD1 3.25Å; T116-Y408 HydrophobicContact CG2-CD2 3.72Å; T116-Y408 HydrophobicContact CG2-CE1 3.28Å; T116-Y408 HydrophobicContact CG2-CE2 3.68Å; T116-Y408 HydrophobicContact CG2-CG 3.51Å; P372-Y408 PolarHBondContact O-OH 2.98Å; P372-Y408 VanDerWaalsContact O-OH 3.07Å; C374-Y408 PolarHBondContact O-OH 2.78Å; V406-Y408 HydrophobicContact CB-CD2 4.26Å; V406-Y408 HydrophobicContact CB-CE2 3.63Å; V406-Y408 HydrophobicContact CG1-CD2 4Å; V406-Y408 HydrophobicContact CG1-CE1 4.45Å; V406-Y408 HydrophobicContact CG1-CE2 3.39Å; V406-Y408 WeakPolarHBondContact O-CD2 3.32Å; Y408-P410 HydrophobicContact CD1-CG 4.02Å; Y408-P410 HydrophobicContact CE1-CG 4.04Å; Y408-Y413 VanDerWaalsContact C-CD2 3.48Å; Y408-Y413 WeakPolarHBondContact O-CD2 3.38Å; Y408-Y413 WeakPolarHBondContact O-CE2 3.16Å
409	P	82.3	Confident	91.7	Very high	24 Å²	24	24.5 Å²	24.5	16%	0.156	12%	0.123	C	C	.	.			cis	-84.2	154.3	1.3	34.2	-36.4	0	0	0	113.3	E411 R412 Y413	P409-E411 WeakPolarHBondContact CB-OE2 3.32Å; P409-E411 PolarHBondContact O-N 3.49Å; P409-R412 HydrophobicContact CG-CB 3.98Å; P409-R412 WeakPolarHBondContact O-CB 3.26Å; P409-R412 PolarHBondContact O-N 3.13Å; P409-Y413 PolarHBondContact O-N 3.29Å
410	P	83.9	Confident	91.6	Very high	50 Å²	50	24.1 Å²	24.1	33%	0.325	12%	0.121	S	C	.	.	H	α-helix	trans	-66.1	-26.1	-177.3	-19.2	34.6	0	0	0	112.8	Y408 R412 G414	Y408-P410 HydrophobicContact CD1-CG 4.02Å; Y408-P410 HydrophobicContact CE1-CG 4.04Å; P410-R412 PolarHBondContact O-N 2.91Å; P410-G414 WeakPolarHBondContact O-CA 3.31Å; P410-G414 PolarHBondContact O-N 3.02Å
411	E	85.4	Confident	91.7	Very high	159 Å²	159	24 Å²	24	74%	0.743	12%	0.12	S	C	*	.	H	α-helix	trans	-62.1	-27.1	173.7	-61.9	76.5	-167.9	0	0	111.9	P409	P409-E411 WeakPolarHBondContact CB-OE2 3.32Å; P409-E411 PolarHBondContact O-N 3.49Å
412	R	86	Confident	91.6	Very high	56 Å²	56	24 Å²	24	21%	0.211	12%	0.12	C	C	.	.	H	α-helix	trans	-91.2	-55.2	176	-177.9	179.8	-57.8	161.9	7.3	111.4	A72 E100 P409 P410	A72-R412 HydrophobicContact CB-CG 4.38Å; A72-R412 WeakPolarHBondContact CB-O 3.5Å; E100-R412 IonicContact OE1-CZ 3.36Å; E100-R412 IonicContact OE1-NH1 3.31Å; E100-R412 IonicContact OE1-NH2 2.7Å; E100-R412 PolarHBondContact OE1-NH2 3.39Å; E100-R412 IonicContact OE2-CZ 2.9Å; E100-R412 VanDerWaalsContact OE2-CZ 3.25Å; E100-R412 IonicContact OE2-NH1 2.77Å; E100-R412 PolarHBondContact OE2-NH1 2.94Å; E100-R412 IonicContact OE2-NH2 2.73Å; E100-R412 PolarHBondContact OE2-NH2 2.94Å; P409-R412 HydrophobicContact CG-CB 3.98Å; P409-R412 WeakPolarHBondContact O-CB 3.26Å; P409-R412 PolarHBondContact O-N 3.13Å; P410-R412 PolarHBondContact O-N 2.91Å
413	Y	88.8	Confident	91.7	Very high	27 Å²	27	24 Å²	24	11%	0.106	12%	0.121	C	C	.	.	H	α-helix	trans	-93.6	-9.1	-168	-64.3	-75.8	0	0	0	114.2	A72 L74 L407 Y408 P409 M416	A72-Y413 HydrophobicContact CB-CD1 3.88Å; A72-Y413 HydrophobicContact CB-CE1 4.34Å; L74-Y413 HydrophobicContact CD2-CD1 3.89Å; L74-Y413 HydrophobicContact CD2-CE1 4.16Å; L407-Y413 HydrophobicContact CB-CD1 4.17Å; L407-Y413 HydrophobicContact CB-CD2 3.98Å; L407-Y413 HydrophobicContact CB-CG 3.71Å; L407-Y413 HydrophobicContact CD1-CD1 3.88Å; L407-Y413 HydrophobicContact CD1-CE1 4.31Å; L407-Y413 HydrophobicContact CD1-CG 4.27Å; Y408-Y413 VanDerWaalsContact C-CD2 3.48Å; Y408-Y413 WeakPolarHBondContact O-CD2 3.38Å; Y408-Y413 WeakPolarHBondContact O-CE2 3.16Å; P409-Y413 PolarHBondContact O-N 3.29Å; Y413-M416 WeakPolarHBondContact O-CB 2.97Å
414	G	91.1	Very high	91.7	Very high	29 Å²	29	30.1 Å²	30.1	30%	0.299	15%	0.149	S	C	.	.			trans	65.4	-143.9	-169.1	0	0	0	0	0	111.4	P410 M416	P410-G414 WeakPolarHBondContact O-CA 3.31Å; P410-G414 PolarHBondContact O-N 3.02Å; G414-M416 PolarHBondContact O-N 3.17Å
415	Y	94.8	Very high	91.7	Very high	84 Å²	84	31.1 Å²	31.1	33%	0.329	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	77.2	176	-49.7	-55.1	0	0	0	109.8	F365 E366 P368	F365-Y415 PolarHBondContact N-O 2.82Å; E366-Y415 WeakPolarHBondContact O-CD2 3.37Å; E366-Y415 VanDerWaalsContact O-CE2 3.31Å; E366-Y415 WeakPolarHBondContact O-CE2 3.43Å; P368-Y415 HydrophobicContact CB-CD1 3.74Å; P368-Y415 HydrophobicContact CB-CE1 4.23Å; P368-Y415 HydrophobicContact CB-CG 4.15Å; P368-Y415 HydrophobicContact CG-CD1 3.67Å; P368-Y415 HydrophobicContact CG-CE1 3.63Å; P368-Y415 HydrophobicContact CG-CG 4.22Å
416	M	94.9	Very high	91.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.8	-173.6	-168.9	72.5	62.7	0	0	111.6	N69 L74 F362 L363 E364 L407 Y413 G414	N69-M416 WeakPolarHBondContact ND2-CE 3.32Å; L74-M416 HydrophobicContact CD1-CE 4.06Å; L74-M416 HydrophobicContact CD1-SD 4.46Å; F362-M416 HydrophobicContact CB-SD 3.9Å; F362-M416 HydrophobicContact CD1-CG 4.36Å; L363-M416 VanDerWaalsContact C-SD 3.59Å; L363-M416 WeakPolarHBondContact O-CA 3.48Å; E364-M416 HydrophobicContact CB-CE 3.68Å; E364-M416 HydrophobicContact CB-SD 3.9Å; E364-M416 HydrophobicContact CG-CE 3.77Å; L407-M416 HydrophobicContact CB-CB 4.26Å; L407-M416 HydrophobicContact CD1-CB 4.23Å; L407-M416 HydrophobicContact CD1-CG 3.69Å; L407-M416 HydrophobicContact CG-CB 4.38Å; L407-M416 HydrophobicContact CG-CG 4.19Å; L407-M416 PolarHBondContact N-O 3.29Å; Y413-M416 WeakPolarHBondContact O-CB 2.97Å; G414-M416 PolarHBondContact O-N 3.17Å
417	L	96.7	Very high	92.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145.9	165.7	-64.3	-177.4	0	0	0	110.7	F362 L363 F365 F369 W370 F404 D405 V406 L445	F362-L417 CarbonylContact C-O 3.37Å; F362-L417 VanDerWaalsContact CA-O 3.24Å; F362-L417 WeakPolarHBondContact CA-O 3.38Å; L363-L417 HydrophobicContact CB-CB 4.29Å; L363-L417 PolarHBondContact N-O 3.44Å; L363-L417 PolarHBondContact O-N 2.68Å; F365-L417 HydrophobicContact CE2-CB 4.5Å; F365-L417 HydrophobicContact CE2-CD1 3.8Å; F365-L417 HydrophobicContact CE2-CG 4.03Å; F365-L417 HydrophobicContact CZ-CD1 4.39Å; F369-L417 HydrophobicContact CE1-CD1 4.16Å; F369-L417 HydrophobicContact CZ-CD1 3.81Å; W370-L417 HydrophobicContact CD2-CD2 4.35Å; W370-L417 HydrophobicContact CE3-CD1 4.37Å; W370-L417 HydrophobicContact CE3-CD2 4.1Å; W370-L417 HydrophobicContact CE3-CG 4.36Å; W370-L417 HydrophobicContact CH2-CD2 3.94Å; W370-L417 HydrophobicContact CH2-CG 3.87Å; W370-L417 HydrophobicContact CZ2-CD2 4.2Å; W370-L417 HydrophobicContact CZ3-CD1 3.96Å; W370-L417 HydrophobicContact CZ3-CD2 3.89Å; W370-L417 HydrophobicContact CZ3-CG 3.75Å; F404-L417 HydrophobicContact CB-CB 4.12Å; F404-L417 HydrophobicContact CB-CD1 4.14Å; F404-L417 HydrophobicContact CD1-CB 3.96Å; F404-L417 HydrophobicContact CG-CB 4.33Å; F404-L417 HydrophobicContact CG-CD1 4.45Å; D405-L417 CarbonylContact O-C 3.51Å; D405-L417 VanDerWaalsContact O-CA 3.26Å; D405-L417 WeakPolarHBondContact O-CA 3.5Å; V406-L417 HydrophobicContact CB-CD2 4.34Å; V406-L417 HydrophobicContact CG2-CD2 3.63Å; L417-L445 HydrophobicContact CD1-CD1 4.04Å; L417-L445 HydrophobicContact CD1-CD2 4.14Å
418	S	96	Very high	92.5	Very high	5 Å²	5	33 Å²	33	4%	0.035	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.9	174.7	178.9	0	0	0	0	109.8	I361 F362 F404 D405	I361-S418 CarbonylContact O-C 3.55Å; I361-S418 WeakPolarHBondContact O-CA 3.42Å; F362-S418 WeakPolarHBondContact CE1-OG 3.45Å; F404-S418 CarbonylContact C-O 3.42Å; F404-S418 WeakPolarHBondContact CA-O 3.38Å; D405-S418 PolarHBondContact N-O 3.48Å; D405-S418 PolarHBondContact O-N 3.37Å
419	G	96.1	Very high	93.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	160.4	176	0	0	0	0	0	111.7	K360 I361 S403 F404	K360-G419 CarbonylContact C-O 3.51Å; K360-G419 WeakPolarHBondContact CA-O 3.34Å; I361-G419 PolarHBondContact N-O 3.17Å; I361-G419 PolarHBondContact O-N 2.75Å; S403-G419 WeakPolarHBondContact O-CA 3.43Å; F404-G419 VanDerWaalsContact CD1-CA 3.44Å; F404-G419 VanDerWaalsContact CD1-N 3.28Å
420	W	94.8	Very high	94	Very high	15 Å²	15	31.6 Å²	31.6	6%	0.057	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.8	-178.2	-63.6	80.5	0	0	0	110.8	W80 I112 C207 T358 D359 K360	W80-W420 AromaticContact CH2-CH2 3.97Å; W80-W420 HydrophobicContact CH2-CH2 3.97Å; W80-W420 AromaticContact CH2-CZ2 3.51Å; W80-W420 HydrophobicContact CH2-CZ2 3.51Å; W80-W420 AromaticContact CZ3-CH2 3.68Å; W80-W420 HydrophobicContact CZ3-CH2 3.68Å; W80-W420 AromaticContact CZ3-CZ2 3.74Å; W80-W420 HydrophobicContact CZ3-CZ2 3.74Å; I112-W420 HydrophobicContact CG2-CZ2 4.39Å; I112-W420 VanDerWaalsContact CG2-NE1 3.31Å; C207-W420 HydrophobicContact CB-CB 4.21Å; T358-W420 HydrophobicContact CG2-CE3 3.87Å; T358-W420 HydrophobicContact CG2-CZ3 4.26Å; D359-W420 WeakPolarHBondContact O-CA 3.1Å; K360-W420 HydrophobicContact CD-CH2 4.06Å; K360-W420 HydrophobicContact CD-CZ2 4.19Å; K360-W420 HydrophobicContact CD-CZ3 4.36Å; K360-W420 HydrophobicContact CG-CD2 4.1Å; K360-W420 HydrophobicContact CG-CE3 3.93Å; K360-W420 HydrophobicContact CG-CH2 3.99Å; K360-W420 HydrophobicContact CG-CZ2 4.05Å; K360-W420 HydrophobicContact CG-CZ3 3.9Å
421	I	96.6	Very high	94.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.1	174.6	-172.1	169.7	0	0	0	109.5	T358 D359 I361 W397 K400 I401 E425 A426 M429	T358-I421 CarbonylContact C-O 3.59Å; T358-I421 VanDerWaalsContact CA-O 3.31Å; T358-I421 WeakPolarHBondContact CA-O 3.46Å; D359-I421 HydrophobicContact CB-CG2 3.97Å; D359-I421 PolarHBondContact N-O 2.77Å; D359-I421 PolarHBondContact O-N 2.9Å; I361-I421 HydrophobicContact CD1-CG2 4.25Å; W397-I421 HydrophobicContact CE3-CD1 3.48Å; W397-I421 VanDerWaalsContact CE3-CD1 3.48Å; W397-I421 HydrophobicContact CZ3-CD1 3.78Å; K400-I421 HydrophobicContact CB-CD1 4.41Å; K400-I421 HydrophobicContact CB-CG1 4.13Å; K400-I421 HydrophobicContact CG-CG1 4.18Å; I401-I421 HydrophobicContact CG1-CB 4.36Å; I401-I421 HydrophobicContact CG1-CD1 4.17Å; I421-E425 HydrophobicContact CD1-CB 4.04Å; I421-E425 HydrophobicContact CG1-CB 4.35Å; I421-A426 HydrophobicContact CG1-CB 4.17Å; I421-A426 HydrophobicContact CG2-CB 3.99Å; I421-M429 HydrophobicContact CD1-CB 4.17Å; I421-M429 HydrophobicContact CG2-CE 3.88Å
422	C	95.5	Very high	95.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	169.8	178.3	71.8	0	0	0	0	112.7	S206 S211 T357 T358 K400	S206-C422 VanDerWaalsContact CB-SG 3.57Å; S211-C422 PolarHBondContact O-SG 3.17Å; T357-C422 CarbonylContact O-C 3.53Å; T357-C422 WeakPolarHBondContact O-CA 3.49Å; T357-C422 WeakPolarHBondContact O-CB 3.39Å; T358-C422 HydrophobicContact CG2-CB 4.2Å; T358-C422 WeakPolarHBondContact OG1-CB 3.34Å; K400-C422 VanDerWaalsContact CE-SG 3.56Å; K400-C422 WeakPolarHBondContact CG-O 3.36Å
423	G	94.8	Very high	95.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-153.8	175.4	0	0	0	0	0	114.1	T357 E425 A426 L427	T357-G423 PolarHBondContact O-N 3.36Å; G423-E425 PolarHBondContact O-N 3.45Å; G423-A426 WeakPolarHBondContact O-CB 3.21Å; G423-A426 PolarHBondContact O-N 3.09Å; G423-L427 PolarHBondContact O-N 2.73Å
424	Q	94.8	Very high	96.2	Very high	131 Å²	131	33.6 Å²	33.6	61%	0.612	16%	0.164	S	C	*	.	H	α-helix	trans	-69.1	-26.4	178.8	-68.5	-60.8	-33	0	0	111.7	A426 L427 H428	Q424-A426 VanDerWaalsContact C-N 3.33Å; Q424-L427 WeakPolarHBondContact O-CB 3.24Å; Q424-L427 PolarHBondContact O-N 3.27Å; Q424-H428 PolarHBondContact O-N 3.24Å
425	E	97.3	Very high	96.5	Very high	20 Å²	20	37.6 Å²	37.6	9%	0.093	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-35	176.1	-62	83.1	176.9	0	0	111.6	Y392 W397 K400 I421 G423 H428 M429	Y392-E425 HydrophobicContact CD2-CG 4.03Å; Y392-E425 WeakPolarHBondContact CD2-OE1 3.43Å; W397-E425 HydrophobicContact CB-CB 3.99Å; W397-E425 HydrophobicContact CB-CG 4.22Å; K400-E425 HydrophobicContact CB-CB 3.7Å; K400-E425 HydrophobicContact CB-CG 3.86Å; K400-E425 HydrophobicContact CG-CB 4.01Å; K400-E425 HydrophobicContact CG-CG 4.25Å; I421-E425 HydrophobicContact CD1-CB 4.04Å; I421-E425 HydrophobicContact CG1-CB 4.35Å; G423-E425 PolarHBondContact O-N 3.45Å; E425-H428 PolarHBondContact O-N 3.16Å; E425-M429 WeakPolarHBondContact O-CB 3.04Å; E425-M429 PolarHBondContact O-N 2.84Å
426	A	97.3	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-47.8	170.6	0	0	0	0	0	111	T357 I421 G423 Q424 H428 M429 E430	T357-A426 HydrophobicContact CG2-CB 3.91Å; I421-A426 HydrophobicContact CG1-CB 4.17Å; I421-A426 HydrophobicContact CG2-CB 3.99Å; G423-A426 WeakPolarHBondContact O-CB 3.21Å; G423-A426 PolarHBondContact O-N 3.09Å; Q424-A426 VanDerWaalsContact C-N 3.33Å; A426-H428 PolarHBondContact O-N 2.66Å; A426-M429 CarbonylContact O-C 3.55Å; A426-M429 WeakPolarHBondContact O-CA 3.33Å; A426-M429 WeakPolarHBondContact O-CB 3.13Å; A426-M429 PolarHBondContact O-N 3.22Å; A426-M429 VanDerWaalsContact O-N 3.09Å; A426-E430 WeakPolarHBondContact O-CG 3.48Å; A426-E430 PolarHBondContact O-N 2.98Å
427	L	96.6	Very high	96.9	Very high	34 Å²	34	36.4 Å²	36.4	18%	0.178	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-33.7	175.2	-70.9	172.3	0	0	0	112.8	T357 G423 Q424 R431	T357-L427 HydrophobicContact CG2-CD2 4.38Å; G423-L427 PolarHBondContact O-N 2.73Å; Q424-L427 WeakPolarHBondContact O-CB 3.24Å; Q424-L427 PolarHBondContact O-N 3.27Å; L427-R431 VanDerWaalsContact C-NH1 3.28Å; L427-R431 WeakPolarHBondContact O-CG 3.25Å; L427-R431 PolarHBondContact O-NH1 3.17Å
428	H	97.1	Very high	96.9	Very high	35 Å²	35	36.8 Å²	36.8	16%	0.162	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-47.6	173.4	-171.3	95.4	0	0	0	110.8	E394 W397 Q424 E425 A426 E430 R431 C432	E394-H428 IonicContact OE1-ND1 2.62Å; E394-H428 PolarHBondContact OE1-ND1 3Å; W397-H428 HydrophobicContact CB-CB 4.2Å; W397-H428 AromaticContact CD1-CD2 3.15Å; W397-H428 AromaticContact CD1-NE2 3.58Å; W397-H428 AromaticContact CG-CD2 3.57Å; W397-H428 AromaticContact NE1-CD2 3.71Å; Q424-H428 PolarHBondContact O-N 3.24Å; E425-H428 PolarHBondContact O-N 3.16Å; A426-H428 PolarHBondContact O-N 2.66Å; H428-E430 VanDerWaalsContact C-N 3.28Å; H428-E430 PolarHBondContact O-N 2.92Å; H428-R431 PolarHBondContact ND1-NH2 3.23Å; H428-R431 WeakPolarHBondContact O-CB 3.34Å; H428-R431 PolarHBondContact O-N 3.11Å; H428-C432 PolarHBondContact O-N 3.12Å
429	M	98	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.7	-42.6	174.6	-177.9	-76.3	-63.9	0	0	111.7	D359 I361 W397 I421 E425 A426 R431 C432 V437 R462	D359-M429 HydrophobicContact CB-CE 3.69Å; I361-M429 HydrophobicContact CD1-CG 4.29Å; I361-M429 HydrophobicContact CG1-CE 4.41Å; W397-M429 HydrophobicContact CD2-CB 4.33Å; W397-M429 HydrophobicContact CE3-CB 3.75Å; W397-M429 HydrophobicContact CE3-CG 4.15Å; W397-M429 HydrophobicContact CH2-CB 4.15Å; W397-M429 HydrophobicContact CH2-CG 3.72Å; W397-M429 HydrophobicContact CZ3-CB 3.64Å; W397-M429 HydrophobicContact CZ3-CG 3.5Å; W397-M429 VanDerWaalsContact CZ3-CG 3.5Å; I421-M429 HydrophobicContact CD1-CB 4.17Å; I421-M429 HydrophobicContact CG2-CE 3.88Å; E425-M429 WeakPolarHBondContact O-CB 3.04Å; E425-M429 PolarHBondContact O-N 2.84Å; A426-M429 CarbonylContact O-C 3.55Å; A426-M429 WeakPolarHBondContact O-CA 3.33Å; A426-M429 WeakPolarHBondContact O-CB 3.13Å; A426-M429 PolarHBondContact O-N 3.22Å; A426-M429 VanDerWaalsContact O-N 3.09Å; M429-R431 PolarHBondContact O-N 2.9Å; M429-C432 WeakPolarHBondContact O-CB 3.5Å; M429-C432 PolarHBondContact O-N 3Å; M429-V437 HydrophobicContact CG-CG1 4.26Å; M429-V437 HydrophobicContact CG-CG2 4.01Å; M429-V437 HydrophobicContact SD-CG1 4.41Å; M429-V437 HydrophobicContact SD-CG2 4.15Å; M429-R462 PolarHBondContact O-NH1 2.9Å; M429-R462 WeakPolarHBondContact SD-CD 3.3Å
430	E	98.1	Very high	97.2	Very high	17 Å²	17	41.5 Å²	41.5	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-56.2	-32.5	176	-72.3	-177.1	174.9	0	0	113	T357 D359 A426 H428 R462 S464 W465 G466 S467	T357-E430 WeakPolarHBondContact CG2-OE1 3.44Å; D359-E430 WeakPolarHBondContact OD2-CG 3.16Å; A426-E430 WeakPolarHBondContact O-CG 3.48Å; A426-E430 PolarHBondContact O-N 2.98Å; H428-E430 VanDerWaalsContact C-N 3.28Å; H428-E430 PolarHBondContact O-N 2.92Å; E430-R462 PolarHBondContact O-NH1 3.33Å; E430-S464 WeakPolarHBondContact OE1-CA 3.16Å; E430-W465 PolarHBondContact OE1-N 2.59Å; E430-G466 WeakPolarHBondContact OE1-CA 2.79Å; E430-G466 PolarHBondContact OE1-N 2.76Å; E430-S467 WeakPolarHBondContact OE2-CA 3.35Å; E430-S467 WeakPolarHBondContact OE2-CB 3.39Å; E430-S467 PolarHBondContact OE2-N 3.37Å; E430-S467 PolarHBondContact OE2-OG 3.31Å
431	R	97.2	Very high	97.3	Very high	140 Å²	140	40.8 Å²	40.8	53%	0.528	20%	0.201	S	C	.	.	H	α-helix	trans	-78.5	-19.8	178	-65.1	-173.2	-65.9	-89	17.5	113.8	E394 L427 H428 M429	E394-R431 IonicContact OE1-NH2 3.14Å; E394-R431 PolarHBondContact OE1-NH2 3.19Å; L427-R431 VanDerWaalsContact C-NH1 3.28Å; L427-R431 WeakPolarHBondContact O-CG 3.25Å; L427-R431 PolarHBondContact O-NH1 3.17Å; H428-R431 PolarHBondContact ND1-NH2 3.23Å; H428-R431 WeakPolarHBondContact O-CB 3.34Å; H428-R431 PolarHBondContact O-N 3.11Å; M429-R431 PolarHBondContact O-N 2.9Å
432	C	97.7	Very high	97.4	Very high	20 Å²	20	40.8 Å²	40.8	14%	0.135	20%	0.201	C	C	.	.	S	Bend	trans	-72.6	154.3	176	-61.3	0	0	0	0	110.8	H428 M429 T436 V437 R462	H428-C432 PolarHBondContact O-N 3.12Å; M429-C432 WeakPolarHBondContact O-CB 3.5Å; M429-C432 PolarHBondContact O-N 3Å; C432-T436 HydrophobicContact CB-CG2 4.27Å; C432-V437 HydrophobicContact CB-CG2 3.7Å; C432-R462 PolarHBondContact O-NH1 3.26Å; C432-R462 PolarHBondContact O-NH2 2.93Å
433	D	97.4	Very high	97.6	Very high	96 Å²	96	45.8 Å²	45.8	51%	0.513	22%	0.224	S	C	.	.			trans	-78.3	162.9	166.1	62.3	36.8	0	0	0	111.5	E435 T436 V437	D433-E435 VanDerWaalsContact C-N 3.26Å; D433-E435 PolarHBondContact O-N 2.95Å; D433-E435 PolarHBondContact OD1-N 3.06Å; D433-T436 PolarHBondContact O-N 2.92Å; D433-T436 WeakPolarHBondContact OD1-CB 3.27Å; D433-T436 PolarHBondContact OD1-N 2.88Å; D433-T436 PolarHBondContact OD1-OG1 2.83Å; D433-V437 WeakPolarHBondContact O-CG2 3.42Å; D433-V437 PolarHBondContact O-N 2.8Å; D433-V437 VanDerWaalsContact O-N 3.13Å
434	D	97.9	Very high	97.7	Very high	78 Å²	78	46 Å²	46	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-33	-175.3	-73.5	-2.7	0	0	0	112.8	V437 A438 I460 R462	D434-V437 PolarHBondContact O-N 3.45Å; D434-A438 WeakPolarHBondContact O-CB 3.48Å; D434-A438 PolarHBondContact O-N 2.79Å; D434-I460 HydrophobicContact CB-CG2 3.65Å; D434-R462 IonicContact OD1-CZ 2.95Å; D434-R462 VanDerWaalsContact OD1-CZ 3.28Å; D434-R462 IonicContact OD1-NE 3.46Å; D434-R462 PolarHBondContact OD1-NE 3.19Å; D434-R462 IonicContact OD1-NH2 3.79Å; D434-R462 PolarHBondContact OD1-NH2 2.86Å
435	E	97.8	Very high	97.9	Very high	112 Å²	112	39.7 Å²	39.7	52%	0.523	20%	0.196	S	C	.	.	H	α-helix	trans	-67.1	-43.5	178.2	-178.2	60.7	-155.4	0	0	111.3	D433 A438 E439 K456	D433-E435 VanDerWaalsContact C-N 3.26Å; D433-E435 PolarHBondContact O-N 2.95Å; D433-E435 PolarHBondContact OD1-N 3.06Å; E435-A438 PolarHBondContact O-N 2.86Å; E435-E439 WeakPolarHBondContact O-CB 3.33Å; E435-E439 PolarHBondContact O-N 2.79Å; E435-K456 IonicContact OE1-NZ 3.43Å; E435-K456 PolarHBondContact OE1-NZ 3.46Å
436	T	97.9	Very high	98	Very high	61 Å²	61	41.7 Å²	41.7	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-62.6	-45.3	176.7	-59.8	0	0	0	0	110.9	C432 D433 T440	C432-T436 HydrophobicContact CB-CG2 4.27Å; D433-T436 PolarHBondContact O-N 2.92Å; D433-T436 WeakPolarHBondContact OD1-CB 3.27Å; D433-T436 PolarHBondContact OD1-N 2.88Å; D433-T436 PolarHBondContact OD1-OG1 2.83Å; T436-T440 WeakPolarHBondContact O-CB 3.4Å; T436-T440 PolarHBondContact O-N 3.19Å; T436-T440 PolarHBondContact O-OG1 3.45Å
437	V	98.4	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-43.3	177.3	-179.1	0	0	0	0	110.7	I361 W397 M429 C432 D433 D434 T440 C441 I460	I361-V437 HydrophobicContact CD1-CG1 4.31Å; I361-V437 HydrophobicContact CG2-CG1 4.39Å; W397-V437 HydrophobicContact CH2-CG1 4.23Å; W397-V437 HydrophobicContact CH2-CG2 4.41Å; M429-V437 HydrophobicContact CG-CG1 4.26Å; M429-V437 HydrophobicContact CG-CG2 4.01Å; M429-V437 HydrophobicContact SD-CG1 4.41Å; M429-V437 HydrophobicContact SD-CG2 4.15Å; C432-V437 HydrophobicContact CB-CG2 3.7Å; D433-V437 WeakPolarHBondContact O-CG2 3.42Å; D433-V437 PolarHBondContact O-N 2.8Å; D433-V437 VanDerWaalsContact O-N 3.13Å; D434-V437 PolarHBondContact O-N 3.45Å; V437-T440 PolarHBondContact O-N 2.82Å; V437-C441 WeakPolarHBondContact O-CB 3.43Å; V437-C441 PolarHBondContact O-N 2.92Å; V437-C441 PolarHBondContact O-SG 2.98Å; V437-I460 HydrophobicContact CB-CD1 3.86Å; V437-I460 HydrophobicContact CG1-CD1 3.5Å; V437-I460 VanDerWaalsContact CG1-CD1 3.5Å
438	A	98.4	Very high	98.1	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-45.8	178	0	0	0	0	0	112.5	D434 E435 T442 P457 I460	D434-A438 WeakPolarHBondContact O-CB 3.48Å; D434-A438 PolarHBondContact O-N 2.79Å; E435-A438 PolarHBondContact O-N 2.86Å; A438-T442 WeakPolarHBondContact O-CB 3.3Å; A438-T442 PolarHBondContact O-N 2.84Å; A438-T442 PolarHBondContact O-OG1 3.21Å; A438-P457 HydrophobicContact CB-CG 3.95Å; A438-I460 HydrophobicContact CB-CD1 4.39Å
439	E	98.4	Very high	98.1	Very high	76 Å²	76	44.4 Å²	44.4	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-47.4	174.3	-177.7	77.8	-104.1	0	0	111.1	E435 C441 T442 E443 R446 K456	E435-E439 WeakPolarHBondContact O-CB 3.33Å; E435-E439 PolarHBondContact O-N 2.79Å; E439-C441 VanDerWaalsContact C-N 3.35Å; E439-C441 PolarHBondContact O-N 2.79Å; E439-T442 WeakPolarHBondContact O-CB 3.46Å; E439-T442 PolarHBondContact O-N 3.05Å; E439-T442 VanDerWaalsContact O-N 3.14Å; E439-E443 PolarHBondContact O-N 3.15Å; E439-R446 IonicContact OE1-NH1 2.73Å; E439-K456 WeakPolarHBondContact OE1-CE 3.47Å; E439-K456 WeakPolarHBondContact OE2-CE 3.44Å; E439-K456 IonicContact OE2-NZ 3.2Å; E439-K456 PolarHBondContact OE2-NZ 3.12Å
440	T	98.4	Very high	98	Very high	29 Å²	29	46.7 Å²	46.7	18%	0.178	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-44.7	-179.2	-57	0	0	0	0	111.7	W397 Y398 T436 V437 E443 L444	W397-T440 HydrophobicContact CH2-CG2 4.11Å; W397-T440 HydrophobicContact CZ2-CG2 3.77Å; Y398-T440 VanDerWaalsContact CB-CG2 3.43Å; Y398-T440 HydrophobicContact CD1-CG2 3.73Å; Y398-T440 HydrophobicContact CG-CG2 3.69Å; T436-T440 WeakPolarHBondContact O-CB 3.4Å; T436-T440 PolarHBondContact O-N 3.19Å; T436-T440 PolarHBondContact O-OG1 3.45Å; V437-T440 PolarHBondContact O-N 2.82Å; T440-E443 PolarHBondContact O-N 3.42Å; T440-L444 WeakPolarHBondContact O-CB 3.43Å; T440-L444 PolarHBondContact O-N 3.17Å
441	C	98.6	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-36.7	176.9	-63.5	0	0	0	0	111.9	L363 F404 V437 E439 L444 L445	L363-C441 HydrophobicContact CD1-CB 3.72Å; L363-C441 HydrophobicContact CD2-CB 4.34Å; F404-C441 HydrophobicContact CE2-CB 4.41Å; F404-C441 HydrophobicContact CZ-CB 4.03Å; V437-C441 WeakPolarHBondContact O-CB 3.43Å; V437-C441 PolarHBondContact O-N 2.92Å; V437-C441 PolarHBondContact O-SG 2.98Å; E439-C441 VanDerWaalsContact C-N 3.35Å; E439-C441 PolarHBondContact O-N 2.79Å; C441-L444 WeakPolarHBondContact O-CB 3.4Å; C441-L444 PolarHBondContact O-N 3.24Å; C441-L445 VanDerWaalsContact O-CG 3.3Å; C441-L445 WeakPolarHBondContact O-CG 3.35Å; C441-L445 PolarHBondContact O-N 2.8Å
442	T	98.6	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-46.5	176.5	-56.5	0	0	0	0	110.9	A438 E439 L444 L445 R446 K456 P457	A438-T442 WeakPolarHBondContact O-CB 3.3Å; A438-T442 PolarHBondContact O-N 2.84Å; A438-T442 PolarHBondContact O-OG1 3.21Å; E439-T442 WeakPolarHBondContact O-CB 3.46Å; E439-T442 PolarHBondContact O-N 3.05Å; E439-T442 VanDerWaalsContact O-N 3.14Å; T442-L444 VanDerWaalsContact C-N 3.3Å; T442-L444 PolarHBondContact O-N 3.3Å; T442-L445 PolarHBondContact O-N 3.27Å; T442-R446 WeakPolarHBondContact O-CG 3.22Å; T442-R446 PolarHBondContact O-N 3.37Å; T442-K456 HydrophobicContact CG2-CG 4.2Å; T442-P457 VanDerWaalsContact OG1-CD 3.25Å; T442-P457 WeakPolarHBondContact OG1-CD 3.39Å
443	E	98.5	Very high	97.9	Very high	104 Å²	104	51.6 Å²	51.6	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-39.1	176.8	-177.5	54.2	-150.1	0	0	111.5	E439 T440 R446 R447	E439-E443 PolarHBondContact O-N 3.15Å; T440-E443 PolarHBondContact O-N 3.42Å; E443-R446 PolarHBondContact O-N 3.44Å; E443-R447 VanDerWaalsContact O-CB 3.24Å; E443-R447 WeakPolarHBondContact O-CB 3.43Å; E443-R447 PolarHBondContact O-N 2.7Å
444	L	98.1	Very high	97.9	Very high	5 Å²	5	47 Å²	47	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-47.8	174.4	-169.7	64.4	0	0	0	111.3	F379 W381 Y398 I401 T440 C441 T442 R447 F448	F379-L444 HydrophobicContact CD2-CD2 3.65Å; F379-L444 HydrophobicContact CD2-CG 4.05Å; F379-L444 HydrophobicContact CE1-CG 4.36Å; F379-L444 HydrophobicContact CE2-CD2 3.27Å; F379-L444 HydrophobicContact CE2-CG 3.66Å; F379-L444 HydrophobicContact CZ-CD2 3.91Å; F379-L444 HydrophobicContact CZ-CG 3.8Å; W381-L444 HydrophobicContact CH2-CD1 4.03Å; W381-L444 HydrophobicContact CZ2-CD1 3.55Å; Y398-L444 HydrophobicContact CD2-CD1 4.33Å; I401-L444 HydrophobicContact CB-CD2 4.07Å; I401-L444 HydrophobicContact CD1-CD2 4.18Å; I401-L444 HydrophobicContact CG2-CD2 4.2Å; T440-L444 WeakPolarHBondContact O-CB 3.43Å; T440-L444 PolarHBondContact O-N 3.17Å; C441-L444 WeakPolarHBondContact O-CB 3.4Å; C441-L444 PolarHBondContact O-N 3.24Å; T442-L444 VanDerWaalsContact C-N 3.3Å; T442-L444 PolarHBondContact O-N 3.3Å; L444-R447 PolarHBondContact O-N 2.67Å; L444-F448 HydrophobicContact CD1-CD2 3.67Å; L444-F448 HydrophobicContact CD1-CE2 3.45Å; L444-F448 VanDerWaalsContact CD1-CE2 3.45Å; L444-F448 HydrophobicContact CG-CD2 4.21Å; L444-F448 HydrophobicContact CG-CE2 4.41Å; L444-F448 WeakPolarHBondContact O-CD2 3.47Å; L444-F448 PolarHBondContact O-N 3.37Å
445	L	98.5	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-46.4	176.2	-71.9	167.6	0	0	0	111.7	L363 F365 F369 I377 F379 F404 L417 C441 T442 R447 F448 T449 I454	L363-L445 HydrophobicContact CD1-CD1 4.12Å; F365-L445 HydrophobicContact CZ-CD1 3.97Å; F369-L445 HydrophobicContact CE1-CD1 4.29Å; F369-L445 HydrophobicContact CZ-CD1 3.95Å; F369-L445 HydrophobicContact CZ-CD2 4.01Å; F369-L445 HydrophobicContact CZ-CG 4.39Å; I377-L445 HydrophobicContact CD1-CD2 3.91Å; I377-L445 HydrophobicContact CG2-CD2 4.32Å; F379-L445 HydrophobicContact CE1-CD2 4.45Å; F379-L445 HydrophobicContact CZ-CD2 3.99Å; F404-L445 HydrophobicContact CD2-CD2 4.05Å; L417-L445 HydrophobicContact CD1-CD1 4.04Å; L417-L445 HydrophobicContact CD1-CD2 4.14Å; C441-L445 VanDerWaalsContact O-CG 3.3Å; C441-L445 WeakPolarHBondContact O-CG 3.35Å; C441-L445 PolarHBondContact O-N 2.8Å; T442-L445 PolarHBondContact O-N 3.27Å; L445-R447 VanDerWaalsContact C-N 3.35Å; L445-R447 PolarHBondContact O-N 3.03Å; L445-F448 PolarHBondContact O-N 2.96Å; L445-T449 VanDerWaalsContact O-CB 3.29Å; L445-T449 WeakPolarHBondContact O-CB 3.38Å; L445-T449 VanDerWaalsContact O-CG2 3.22Å; L445-T449 WeakPolarHBondContact O-CG2 3.26Å; L445-T449 PolarHBondContact O-N 3.14Å; L445-T449 PolarHBondContact O-OG1 2.87Å; L445-I454 HydrophobicContact CB-CD1 4.16Å
446	R	98.4	Very high	97.9	Very high	62 Å²	62	44.8 Å²	44.8	23%	0.234	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-46.7	176.6	-71.3	175.5	178.2	151.7	1.8	111.8	E439 T442 E443 G450 N451 P452 I454	E439-R446 IonicContact OE1-NH1 2.73Å; T442-R446 WeakPolarHBondContact O-CG 3.22Å; T442-R446 PolarHBondContact O-N 3.37Å; E443-R446 PolarHBondContact O-N 3.44Å; R446-G450 WeakPolarHBondContact O-CA 3.28Å; R446-G450 PolarHBondContact O-N 3.31Å; R446-N451 WeakPolarHBondContact CA-O 3.48Å; R446-N451 WeakPolarHBondContact CG-O 3.4Å; R446-N451 PolarHBondContact O-N 3.16Å; R446-P452 WeakPolarHBondContact CD-O 3.44Å; R446-P452 PolarHBondContact NE-O 3.34Å; R446-I454 HydrophobicContact CG-CB 3.98Å; R446-I454 VanDerWaalsContact CZ-O 3.32Å; R446-I454 PolarHBondContact NE-O 3.36Å; R446-I454 PolarHBondContact NH2-O 2.92Å
447	R	97.9	Very high	97.9	Very high	92 Å²	92	42.5 Å²	42.5	35%	0.347	23%	0.231	S	C	.	.	H	α-helix	trans	-61.4	-46.4	-179	179.5	175	-176.6	167.7	1	112.6	N126 G128 W381 E443 L444 L445	N126-R447 PolarHBondContact ND2-NH2 3.32Å; N126-R447 VanDerWaalsContact ND2-NH2 3.14Å; N126-R447 WeakPolarHBondContact O-CG 3.36Å; N126-R447 PolarHBondContact O-NE 3.04Å; G128-R447 WeakPolarHBondContact CA-O 3.46Å; G128-R447 PolarHBondContact N-O 3.18Å; W381-R447 VanDerWaalsContact CZ3-CZ 3.44Å; E443-R447 VanDerWaalsContact O-CB 3.24Å; E443-R447 WeakPolarHBondContact O-CB 3.43Å; E443-R447 PolarHBondContact O-N 2.7Å; L444-R447 PolarHBondContact O-N 2.67Å; L445-R447 VanDerWaalsContact C-N 3.35Å; L445-R447 PolarHBondContact O-N 3.03Å
448	F	98.2	Very high	97.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-82	-31.1	-175.1	-84.5	-92.2	0	0	0	113.3	Q124 T125 N126 G128 F379 V380 W381 L444 L445	Q124-F448 HydrophobicContact CB-CB 4.33Å; Q124-F448 HydrophobicContact CB-CD1 4.21Å; Q124-F448 VanDerWaalsContact CB-O 3.31Å; Q124-F448 WeakPolarHBondContact CB-O 3.46Å; Q124-F448 VanDerWaalsContact O-CD1 3.23Å; Q124-F448 WeakPolarHBondContact O-CD1 2.94Å; Q124-F448 WeakPolarHBondContact O-CE1 3.29Å; Q124-F448 PolarHBondContact OE1-O 3.17Å; T125-F448 VanDerWaalsContact C-CD1 3.43Å; T125-F448 VanDerWaalsContact C-CE1 3.45Å; T125-F448 WeakPolarHBondContact O-CD1 3.29Å; N126-F448 HydrophobicContact CB-CE1 3.86Å; N126-F448 HydrophobicContact CB-CE2 3.94Å; N126-F448 HydrophobicContact CB-CZ 3.46Å; N126-F448 VanDerWaalsContact CB-CZ 3.46Å; N126-F448 VanDerWaalsContact N-CE1 3.3Å; G128-F448 WeakPolarHBondContact CA-O 3.32Å; F379-F448 HydrophobicContact CB-CD1 4.05Å; F379-F448 HydrophobicContact CB-CD2 4.5Å; F379-F448 HydrophobicContact CB-CE1 3.72Å; F379-F448 HydrophobicContact CB-CE2 4.21Å; F379-F448 HydrophobicContact CB-CG 4.41Å; F379-F448 HydrophobicContact CB-CZ 3.79Å; F379-F448 HydrophobicContact CD1-CB 3.59Å; F379-F448 AromaticContact CD1-CD1 3.6Å; F379-F448 HydrophobicContact CD1-CD1 3.6Å; F379-F448 AromaticContact CD1-CD2 3.72Å; F379-F448 HydrophobicContact CD1-CD2 3.72Å; F379-F448 HydrophobicContact CD1-CE1 4.16Å; F379-F448 HydrophobicContact CD1-CE2 4.27Å; F379-F448 AromaticContact CD1-CG 3.33Å; F379-F448 HydrophobicContact CD1-CG 3.33Å; F379-F448 HydrophobicContact CD1-CZ 4.45Å; F379-F448 HydrophobicContact CE1-CB 3.64Å; F379-F448 HydrophobicContact CE1-CD1 4.49Å; F379-F448 HydrophobicContact CE1-CD2 4.13Å; F379-F448 AromaticContact CE1-CG 3.84Å; F379-F448 HydrophobicContact CE1-CG 3.84Å; F379-F448 HydrophobicContact CG-CD1 4.22Å; F379-F448 HydrophobicContact CG-CD2 4.21Å; F379-F448 HydrophobicContact CG-CE1 4.33Å; F379-F448 HydrophobicContact CG-CE2 4.32Å; F379-F448 HydrophobicContact CG-CG 4.14Å; F379-F448 HydrophobicContact CG-CZ 4.36Å; V380-F448 WeakPolarHBondContact O-CE1 3.32Å; W381-F448 HydrophobicContact CD2-CE2 4.29Å; W381-F448 AromaticContact CD2-CZ 3.73Å; W381-F448 HydrophobicContact CD2-CZ 3.73Å; W381-F448 AromaticContact CE2-CE2 3.78Å; W381-F448 AromaticContact CE2-CZ 3.53Å; W381-F448 HydrophobicContact CE3-CZ 4.15Å; W381-F448 HydrophobicContact CG-CZ 4.16Å; W381-F448 AromaticContact CH2-CE2 3.75Å; W381-F448 HydrophobicContact CH2-CE2 3.75Å; W381-F448 HydrophobicContact CH2-CZ 4.17Å; W381-F448 AromaticContact CZ2-CE2 3.51Å; W381-F448 HydrophobicContact CZ2-CE2 3.51Å; W381-F448 AromaticContact CZ2-CZ 3.79Å; W381-F448 HydrophobicContact CZ2-CZ 3.79Å; W381-F448 HydrophobicContact CZ3-CE2 4.27Å; W381-F448 HydrophobicContact CZ3-CZ 4.35Å; W381-F448 AromaticContact NE1-CZ 3.84Å; L444-F448 HydrophobicContact CD1-CD2 3.67Å; L444-F448 HydrophobicContact CD1-CE2 3.45Å; L444-F448 VanDerWaalsContact CD1-CE2 3.45Å; L444-F448 HydrophobicContact CG-CD2 4.21Å; L444-F448 HydrophobicContact CG-CE2 4.41Å; L444-F448 WeakPolarHBondContact O-CD2 3.47Å; L444-F448 PolarHBondContact O-N 3.37Å; L445-F448 PolarHBondContact O-N 2.96Å
449	T	96.8	Very high	97.7	Very high	34 Å²	34	51.7 Å²	51.7	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-81.8	-17.1	174.6	63.1	0	0	0	0	113.6	Q124 F369 I377 L445 N451 I454	Q124-T449 VanDerWaalsContact OE1-CA 3.27Å; F369-T449 HydrophobicContact CE2-CG2 4.27Å; I377-T449 HydrophobicContact CD1-CG2 4.45Å; L445-T449 VanDerWaalsContact O-CB 3.29Å; L445-T449 WeakPolarHBondContact O-CB 3.38Å; L445-T449 VanDerWaalsContact O-CG2 3.22Å; L445-T449 WeakPolarHBondContact O-CG2 3.26Å; L445-T449 PolarHBondContact O-N 3.14Å; L445-T449 PolarHBondContact O-OG1 2.87Å; T449-N451 PolarHBondContact O-N 3.41Å; T449-N451 PolarHBondContact OG1-N 2.98Å; T449-I454 HydrophobicContact CG2-CD1 4.03Å; T449-I454 WeakPolarHBondContact OG1-CD1 3.46Å
450	G	96.9	Very high	97.6	Very high	48 Å²	48	49 Å²	49	50%	0.495	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	12.2	-171.2	0	0	0	0	0	113.2	R446 P452	R446-G450 WeakPolarHBondContact O-CA 3.28Å; R446-G450 PolarHBondContact O-N 3.31Å; G450-P452 WeakPolarHBondContact O-CD 3.28Å
451	N	96.7	Very high	97.5	Very high	54 Å²	54	49.7 Å²	49.7	29%	0.289	26%	0.257	S	S	.	.			trans	-104	101	179.7	-178.8	1.7	0	0	0	110	R446 T449 D453 I454	R446-N451 WeakPolarHBondContact CA-O 3.48Å; R446-N451 WeakPolarHBondContact CG-O 3.4Å; R446-N451 PolarHBondContact O-N 3.16Å; T449-N451 PolarHBondContact O-N 3.41Å; T449-N451 PolarHBondContact OG1-N 2.98Å; N451-D453 PolarHBondContact O-N 2.9Å; N451-D453 WeakPolarHBondContact OD1-CB 3.39Å; N451-D453 PolarHBondContact OD1-N 2.98Å; N451-I454 HydrophobicContact CB-CD1 4.06Å; N451-I454 HydrophobicContact CB-CG1 3.97Å
452	P	96.8	Very high	97.5	Very high	89 Å²	89	52.1 Å²	52.1	58%	0.578	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.6	-179.8	30.7	-36	0	0	0	113.3	R446 G450 I454	R446-P452 WeakPolarHBondContact CD-O 3.44Å; R446-P452 PolarHBondContact NE-O 3.34Å; G450-P452 WeakPolarHBondContact O-CD 3.28Å; P452-I454 VanDerWaalsContact C-N 3.33Å; P452-I454 PolarHBondContact O-N 3.2Å
453	D	97.3	Very high	97.4	Very high	136 Å²	136	52.2 Å²	52.2	73%	0.727	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	0.2	-173.1	-59.5	-43.1	0	0	0	113.2	N451 P455	N451-D453 PolarHBondContact O-N 2.9Å; N451-D453 WeakPolarHBondContact OD1-CB 3.39Å; N451-D453 PolarHBondContact OD1-N 2.98Å; D453-P455 WeakPolarHBondContact O-CD 3.49Å; D453-P455 VanDerWaalsContact O-N 3.13Å
454	I	98	Very high	97.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-55.8	121.5	175.2	-66.6	175.9	0	0	0	108.6	F365 F369 L445 R446 T449 N451 P452	F365-I454 HydrophobicContact CE1-CG2 4.38Å; F369-I454 HydrophobicContact CB-CG1 4.32Å; F369-I454 HydrophobicContact CD1-CG1 4.37Å; F369-I454 HydrophobicContact CD1-CG2 3.85Å; F369-I454 HydrophobicContact CD2-CD1 3.61Å; F369-I454 HydrophobicContact CD2-CG1 3.99Å; F369-I454 HydrophobicContact CE1-CG2 3.86Å; F369-I454 HydrophobicContact CE2-CD1 3.65Å; F369-I454 HydrophobicContact CE2-CG1 4.43Å; F369-I454 HydrophobicContact CG-CD1 4.08Å; F369-I454 HydrophobicContact CG-CG1 3.97Å; F369-I454 HydrophobicContact CG-CG2 4.31Å; F369-I454 HydrophobicContact CZ-CD1 4.13Å; F369-I454 HydrophobicContact CZ-CG2 4.34Å; L445-I454 HydrophobicContact CB-CD1 4.16Å; R446-I454 HydrophobicContact CG-CB 3.98Å; R446-I454 VanDerWaalsContact CZ-O 3.32Å; R446-I454 PolarHBondContact NE-O 3.36Å; R446-I454 PolarHBondContact NH2-O 2.92Å; T449-I454 HydrophobicContact CG2-CD1 4.03Å; T449-I454 WeakPolarHBondContact OG1-CD1 3.46Å; N451-I454 HydrophobicContact CB-CD1 4.06Å; N451-I454 HydrophobicContact CB-CG1 3.97Å; P452-I454 VanDerWaalsContact C-N 3.33Å; P452-I454 PolarHBondContact O-N 3.2Å
455	P	97.4	Very high	97.3	Very high	69 Å²	69	50.7 Å²	50.7	45%	0.448	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-72.3	161.2	179.1	31.3	-35.1	0	0	0	110.1	F365 D453	F365-P455 HydrophobicContact CD1-CG 4.42Å; F365-P455 WeakPolarHBondContact CE1-O 3.43Å; D453-P455 WeakPolarHBondContact O-CD 3.49Å; D453-P455 VanDerWaalsContact O-N 3.13Å
456	K	97.8	Very high	97.3	Very high	73 Å²	73	51 Å²	51	32%	0.317	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-60.8	148	165.1	-75.9	-176	174.3	-178.4	0	110.1	E435 E439 T442	E435-K456 IonicContact OE1-NZ 3.43Å; E435-K456 PolarHBondContact OE1-NZ 3.46Å; E439-K456 WeakPolarHBondContact OE1-CE 3.47Å; E439-K456 WeakPolarHBondContact OE2-CE 3.44Å; E439-K456 IonicContact OE2-NZ 3.2Å; E439-K456 PolarHBondContact OE2-NZ 3.12Å; T442-K456 HydrophobicContact CG2-CG 4.2Å
457	P	97.9	Very high	97.2	Very high	14 Å²	14	50.9 Å²	50.9	9%	0.091	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-60	141.1	171.6	29.1	-36.8	0	0	0	109.6	L363 E364 F365 A438 T442 R459	L363-P457 HydrophobicContact CB-CB 4.04Å; L363-P457 HydrophobicContact CB-CG 4.5Å; L363-P457 HydrophobicContact CD2-CG 4.13Å; E364-P457 CarbonylContact O-C 3.6Å; E364-P457 WeakPolarHBondContact O-CA 3.38Å; E364-P457 VanDerWaalsContact O-CB 3.3Å; E364-P457 WeakPolarHBondContact O-CB 3.19Å; F365-P457 HydrophobicContact CE1-CB 4.16Å; F365-P457 HydrophobicContact CZ-CB 4.12Å; A438-P457 HydrophobicContact CB-CG 3.95Å; T442-P457 VanDerWaalsContact OG1-CD 3.25Å; T442-P457 WeakPolarHBondContact OG1-CD 3.39Å; P457-R459 PolarHBondContact O-N 2.73Å
458	K	95.9	Very high	97.2	Very high	113 Å²	113	48.6 Å²	48.6	49%	0.491	27%	0.273	S	S	.	.	S	Bend	trans	-70	-24.6	176.2	68.8	177.1	171.8	-173.1	0	112.1	E364 F365 E366	E364-K458 HydrophobicContact CB-CG 4.28Å; E364-K458 HydrophobicContact CG-CD 4.46Å; E364-K458 HydrophobicContact CG-CG 4.16Å; E364-K458 WeakPolarHBondContact O-CG 3.48Å; E364-K458 PolarHBondContact O-N 3.34Å; E364-K458 WeakPolarHBondContact OE1-CE 3.37Å; E364-K458 IonicContact OE1-NZ 3.8Å; F365-K458 WeakPolarHBondContact O-CE 3.23Å; E366-K458 VanDerWaalsContact OE2-CD 3.29Å; E366-K458 WeakPolarHBondContact OE2-CD 3.48Å; E366-K458 IonicContact OE2-NZ 3.51Å; E366-K458 PolarHBondContact OE2-NZ 3.31Å
459	R	95.6	Very high	97.1	Very high	86 Å²	86	51.5 Å²	51.5	33%	0.325	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	146.7	174	-160.1	-179.4	60.6	-155.6	-26.3	110.6	N69 E364 P457	N69-R459 PolarHBondContact ND2-NH2 2.7Å; N69-R459 PolarHBondContact OD1-NH1 2.85Å; N69-R459 PolarHBondContact OD1-NH2 3.41Å; E364-R459 HydrophobicContact CB-CB 4.32Å; E364-R459 PolarHBondContact N-O 2.89Å; E364-R459 IonicContact OE1-NH2 2.83Å; E364-R459 IonicContact OE2-CZ 3.25Å; E364-R459 IonicContact OE2-NE 2.8Å; E364-R459 PolarHBondContact OE2-NE 3.16Å; E364-R459 IonicContact OE2-NH2 3.68Å; E364-R459 PolarHBondContact OE2-NH2 3Å; P457-R459 PolarHBondContact O-N 2.73Å
460	I	97.2	Very high	97.1	Very high	19 Å²	19	54.6 Å²	54.6	10%	0.097	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.8	171.6	-176.5	167.8	0	0	0	109.2	I361 F362 L363 D434 V437 A438	I361-I460 HydrophobicContact CG2-CD1 3.98Å; I361-I460 HydrophobicContact CG2-CG1 4.27Å; F362-I460 VanDerWaalsContact O-CA 3.31Å; F362-I460 WeakPolarHBondContact O-CA 3.31Å; L363-I460 HydrophobicContact CD2-CB 4.37Å; L363-I460 HydrophobicContact CD2-CD1 3.84Å; L363-I460 HydrophobicContact CD2-CG1 3.89Å; D434-I460 HydrophobicContact CB-CG2 3.65Å; V437-I460 HydrophobicContact CB-CD1 3.86Å; V437-I460 HydrophobicContact CG1-CD1 3.5Å; V437-I460 VanDerWaalsContact CG1-CD1 3.5Å; A438-I460 HydrophobicContact CB-CD1 4.39Å
461	L	97	Very high	97.1	Very high	44 Å²	44	53 Å²	53	23%	0.23	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.5	168.1	-66.7	164.6	0	0	0	107.6	L74 F362	L74-L461 HydrophobicContact CD1-CD1 3.55Å; F362-L461 HydrophobicContact CB-CB 4.16Å; F362-L461 HydrophobicContact CD2-CB 4.4Å; F362-L461 PolarHBondContact N-O 3.38Å; F362-L461 PolarHBondContact O-N 3.47Å
462	R	97.4	Very high	97.1	Very high	51 Å²	51	54.5 Å²	54.5	19%	0.192	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153	-178.8	54.8	174.7	176.9	127.4	5.3	111.3	K360 M429 E430 C432 D434	K360-R462 WeakPolarHBondContact O-CA 3.49Å; K360-R462 WeakPolarHBondContact O-CB 3.22Å; M429-R462 PolarHBondContact O-NH1 2.9Å; M429-R462 WeakPolarHBondContact SD-CD 3.3Å; E430-R462 PolarHBondContact O-NH1 3.33Å; C432-R462 PolarHBondContact O-NH1 3.26Å; C432-R462 PolarHBondContact O-NH2 2.93Å; D434-R462 IonicContact OD1-CZ 2.95Å; D434-R462 VanDerWaalsContact OD1-CZ 3.28Å; D434-R462 IonicContact OD1-NE 3.46Å; D434-R462 PolarHBondContact OD1-NE 3.19Å; D434-R462 IonicContact OD1-NH2 3.79Å; D434-R462 PolarHBondContact OD1-NH2 2.86Å
463	S	97.6	Very high	97.1	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.021	26%	0.255	C	S	.	.			trans	-85.5	162.9	170.8	62.6	0	0	0	0	111.3	D359 K360	D359-S463 WeakPolarHBondContact CA-OG 3.16Å; D359-S463 WeakPolarHBondContact CB-OG 3.34Å; D359-S463 VanDerWaalsContact CG-OG 3.3Å; D359-S463 WeakPolarHBondContact OD1-CB 3.49Å; D359-S463 PolarHBondContact OD1-OG 3.35Å; K360-S463 PolarHBondContact N-OG 2.88Å; K360-S463 PolarHBondContact O-N 3.29Å; K360-S463 VanDerWaalsContact O-N 3.13Å
464	S	97.3	Very high	97	Very high	64 Å²	64	44.1 Å²	44.1	45%	0.448	22%	0.222	S	C	.	.			trans	-146.1	62.3	175.2	64.2	0	0	0	0	110.8	D359 E430	D359-S464 PolarHBondContact OD1-N 2.89Å; E430-S464 WeakPolarHBondContact OE1-CA 3.16Å
465	W	97.4	Very high	96.8	Very high	13 Å²	13	46.7 Å²	46.7	5%	0.049	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-31.2	-173.2	-66.6	112.1	0	0	0	113.7	R63 Q65 L76 G77 D359 E430 I471 G473	R63-W465 HydrophobicContact CB-CZ3 4.31Å; R63-W465 HydrophobicContact CG-CE3 4.03Å; R63-W465 HydrophobicContact CG-CZ3 4.02Å; Q65-W465 HydrophobicContact CB-CH2 3.82Å; Q65-W465 HydrophobicContact CB-CZ2 4.21Å; L76-W465 HydrophobicContact CB-CZ2 4.34Å; L76-W465 PolarHBondContact O-NE1 2.93Å; G77-W465 VanDerWaalsContact CA-CZ2 3.43Å; D359-W465 VanDerWaalsContact OD1-CD1 3.31Å; D359-W465 PolarHBondContact OD1-N 3.35Å; E430-W465 PolarHBondContact OE1-N 2.59Å; W465-I471 HydrophobicContact CE3-CD1 3.49Å; W465-I471 VanDerWaalsContact CE3-CD1 3.49Å; W465-I471 HydrophobicContact CE3-CG2 4.25Å; W465-I471 HydrophobicContact CZ3-CD1 3.36Å; W465-G473 PolarHBondContact O-N 2.63Å
466	G	97.1	Very high	96.7	Very high	7 Å²	7	43.7 Å²	43.7	7%	0.072	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-43.2	-177.1	0	0	0	0	0	113.6	T357 E430 N468	T357-G466 VanDerWaalsContact OG1-CA 3.25Å; T357-G466 WeakPolarHBondContact OG1-CA 3.42Å; E430-G466 WeakPolarHBondContact OE1-CA 2.79Å; E430-G466 PolarHBondContact OE1-N 2.76Å; G466-N468 VanDerWaalsContact C-N 3.3Å; G466-N468 PolarHBondContact O-N 2.94Å
467	S	97.1	Very high	96.6	Very high	58 Å²	58	40.6 Å²	40.6	41%	0.406	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-17.5	179.5	-66.2	0	0	0	0	113.1	E430 P469	E430-S467 WeakPolarHBondContact OE2-CA 3.35Å; E430-S467 WeakPolarHBondContact OE2-CB 3.39Å; E430-S467 PolarHBondContact OE2-N 3.37Å; E430-S467 PolarHBondContact OE2-OG 3.31Å; S467-P469 WeakPolarHBondContact O-CD 3.31Å
468	N	97.1	Very high	96.4	Very high	45 Å²	45	40.3 Å²	40.3	24%	0.241	20%	0.197	C	C	.	.			trans	-64.5	117.8	176.8	-174.6	-38.2	0	0	0	110.6	G466 Y470 I471 R472	G466-N468 VanDerWaalsContact C-N 3.3Å; G466-N468 PolarHBondContact O-N 2.94Å; N468-Y470 PolarHBondContact O-N 2.92Å; N468-Y470 PolarHBondContact OD1-N 3Å; N468-I471 HydrophobicContact CB-CB 4.2Å; N468-I471 HydrophobicContact CB-CD1 4.43Å; N468-I471 HydrophobicContact CB-CG1 4.33Å; N468-I471 PolarHBondContact O-N 2.86Å; N468-I471 VanDerWaalsContact O-N 3.17Å; N468-R472 PolarHBondContact O-N 2.75Å
469	P	96.6	Very high	96.3	Very high	61 Å²	61	40.1 Å²	40.1	40%	0.396	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.7	-173.9	28.1	-35.7	0	0	0	113.9	S467	S467-P469 WeakPolarHBondContact O-CD 3.31Å
470	Y	96.3	Very high	96.2	Very high	98 Å²	98	38.5 Å²	38.5	38%	0.384	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	2.1	-178.4	-50.4	-52.4	0	0	0	112.9	A56 P260 V329 N468	A56-Y470 HydrophobicContact CB-CD1 3.52Å; A56-Y470 HydrophobicContact CB-CD2 3.89Å; A56-Y470 HydrophobicContact CB-CE1 3.85Å; A56-Y470 HydrophobicContact CB-CE2 4.19Å; A56-Y470 HydrophobicContact CB-CG 3.54Å; P260-Y470 HydrophobicContact CB-CE1 3.99Å; V329-Y470 VanDerWaalsContact CG2-C 3.4Å; V329-Y470 WeakPolarHBondContact CG2-O 3.49Å; N468-Y470 PolarHBondContact O-N 2.92Å; N468-Y470 PolarHBondContact OD1-N 3Å
471	I	96.7	Very high	95.9	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.072	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-47	-179	-51.1	-179.4	0	0	0	112.3	R63 S326 W465 N468 G473	R63-I471 HydrophobicContact CG-CD1 4.19Å; R63-I471 HydrophobicContact CG-CG2 3.49Å; R63-I471 VanDerWaalsContact CG-CG2 3.49Å; S326-I471 VanDerWaalsContact CB-O 3.3Å; S326-I471 WeakPolarHBondContact CB-O 3.02Å; S326-I471 PolarHBondContact OG-O 3.29Å; W465-I471 HydrophobicContact CE3-CD1 3.49Å; W465-I471 VanDerWaalsContact CE3-CD1 3.49Å; W465-I471 HydrophobicContact CE3-CG2 4.25Å; W465-I471 HydrophobicContact CZ3-CD1 3.36Å; N468-I471 HydrophobicContact CB-CB 4.2Å; N468-I471 HydrophobicContact CB-CD1 4.43Å; N468-I471 HydrophobicContact CB-CG1 4.33Å; N468-I471 PolarHBondContact O-N 2.86Å; N468-I471 VanDerWaalsContact O-N 3.17Å; I471-G473 WeakPolarHBondContact CG2-O 3.49Å; I471-G473 PolarHBondContact O-N 3.26Å
472	R	97.3	Very high	95.6	Very high	87 Å²	87	38.4 Å²	38.4	33%	0.328	21%	0.206	S	C	.	.			trans	53.2	49.1	174	-60.6	-63.5	-165.6	-179.8	1.6	114.5	G328 V329 N468	G328-R472 WeakPolarHBondContact CA-O 3.48Å; V329-R472 HydrophobicContact CG2-CB 4.43Å; V329-R472 HydrophobicContact CG2-CG 4.11Å; N468-R472 PolarHBondContact O-N 2.75Å
473	G	96.3	Very high	95.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	21%	0.207	C	C	.	.	S	Bend	trans	130.1	-179	177.6	0	0	0	0	0	112.4	W465 I471	W465-G473 PolarHBondContact O-N 2.63Å; I471-G473 WeakPolarHBondContact CG2-O 3.49Å; I471-G473 PolarHBondContact O-N 3.26Å
474	S	95.6	Very high	95	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.042	21%	0.207	C	C	.	.	S	Bend	trans	-98.9	-67.6	-173.6	-57.4	0	0	0	0	111	R63 S356 T358	R63-S474 WeakPolarHBondContact CD-O 3.42Å; R63-S474 PolarHBondContact NH1-O 3.32Å; S356-S474 PolarHBondContact O-N 3.23Å; T358-S474 PolarHBondContact N-OG 3.04Å; T358-S474 PolarHBondContact O-OG 2.95Å
475	Y	94.3	Very high	94.8	Very high	55 Å²	55	38 Å²	38	22%	0.216	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	164.8	179.1	40.9	-93.6	0	0	0	112.2	C207 E208 S210 I355 S520	C207-Y475 PolarHBondContact O-OH 3.45Å; E208-Y475 WeakPolarHBondContact O-CE2 3.38Å; S210-Y475 VanDerWaalsContact CB-CZ 3.42Å; I355-Y475 WeakPolarHBondContact CG1-O 3.17Å; Y475-S520 VanDerWaalsContact CD2-CB 3.5Å
476	S	96.4	Very high	94.8	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.035	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	165.2	-171.3	65.7	0	0	0	0	113.7	G354 E512 S520	G354-S476 CarbonylContact O-C 3.59Å; G354-S476 WeakPolarHBondContact O-CA 3.29Å; G354-S476 WeakPolarHBondContact O-CB 3.27Å; S476-E512 PolarHBondContact N-OE1 2.8Å; S476-E512 PolarHBondContact OG-OE2 2.75Å; S476-S520 VanDerWaalsContact C-OG 3.27Å; S476-S520 PolarHBondContact N-OG 2.86Å; S476-S520 VanDerWaalsContact N-OG 3.14Å; S476-S520 PolarHBondContact O-OG 3.27Å; S476-S520 PolarHBondContact OG-OG 3.22Å
477	F	95.5	Very high	94.7	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	159.2	168.5	68.1	-84.7	0	0	0	109.9	S209 S210 E216 V217 G354 R479	S209-F477 WeakPolarHBondContact O-CB 3.44Å; S210-F477 WeakPolarHBondContact O-CD1 3.48Å; E216-F477 HydrophobicContact CB-CE2 4.09Å; E216-F477 HydrophobicContact CB-CZ 4.35Å; V217-F477 HydrophobicContact CG2-CD2 4.18Å; G354-F477 VanDerWaalsContact CA-O 3.28Å; G354-F477 WeakPolarHBondContact CA-O 3.45Å; G354-F477 PolarHBondContact N-O 2.87Å; G354-F477 PolarHBondContact O-N 2.8Å; F477-R479 HydrophobicContact CD2-CB 4.37Å; F477-R479 HydrophobicContact CE2-CB 3.81Å; F477-R479 HydrophobicContact CE2-CG 4.18Å; F477-R479 HydrophobicContact CZ-CB 4.36Å; F477-R479 PolarHBondContact O-N 2.84Å; F477-R479 VanDerWaalsContact O-N 3.13Å
478	T	92.9	Very high	94.7	Very high	9 Å²	9	38 Å²	38	6%	0.055	20%	0.196	C	C	.	.			trans	-81.2	98	176.2	-48.6	0	0	0	0	110.1	S218 E221	S218-T478 PolarHBondContact N-O 3.2Å; E221-T478 HydrophobicContact CB-CG2 3.49Å; E221-T478 VanDerWaalsContact CB-CG2 3.49Å; E221-T478 HydrophobicContact CG-CG2 3.82Å
479	R	94.1	Very high	94.7	Very high	109 Å²	109	39.6 Å²	39.6	41%	0.411	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-71	149.3	178.9	-173.4	-174.3	173.2	105.2	9.3	111.3	E216 F477 G481 S482	E216-R479 CarbonylContact O-C 3.56Å; E216-R479 WeakPolarHBondContact O-CA 3.39Å; E216-R479 IonicContact OE2-CZ 3.95Å; E216-R479 IonicContact OE2-NH1 3.28Å; E216-R479 PolarHBondContact OE2-NH1 2.82Å; E216-R479 IonicContact OE2-NH2 2.85Å; F477-R479 HydrophobicContact CD2-CB 4.37Å; F477-R479 HydrophobicContact CE2-CB 3.81Å; F477-R479 HydrophobicContact CE2-CG 4.18Å; F477-R479 HydrophobicContact CZ-CB 4.36Å; F477-R479 PolarHBondContact O-N 2.84Å; F477-R479 VanDerWaalsContact O-N 3.13Å; R479-G481 PolarHBondContact O-N 2.8Å; R479-G481 VanDerWaalsContact O-N 3.16Å; R479-S482 WeakPolarHBondContact O-CB 3.39Å; R479-S482 PolarHBondContact O-N 3.14Å
480	V	92.6	Very high	94.8	Very high	52 Å²	52	36.8 Å²	36.8	32%	0.315	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	122.4	166.1	175.3	0	0	0	0	110.1	E216	E216-V480 PolarHBondContact O-N 2.99Å
481	G	90.5	Very high	94.9	Very high	53 Å²	53	32.6 Å²	32.6	55%	0.546	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	-4.5	-177.8	0	0	0	0	0	115.2	R479	R479-G481 PolarHBondContact O-N 2.8Å; R479-G481 VanDerWaalsContact O-N 3.16Å
482	S	92.3	Very high	94.8	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.049	18%	0.182	C	C	.	.			trans	-103.5	166.6	168.6	-164.2	0	0	0	0	111.4	K352 R479 D486	K352-S482 WeakPolarHBondContact O-CB 3.37Å; R479-S482 WeakPolarHBondContact O-CB 3.39Å; R479-S482 PolarHBondContact O-N 3.14Å; S482-D486 VanDerWaalsContact CA-OD2 3.23Å; S482-D486 WeakPolarHBondContact CA-OD2 3.24Å; S482-D486 WeakPolarHBondContact CB-OD2 3.4Å; S482-D486 PolarHBondContact OG-OD2 3.06Å
483	S	91.4	Very high	94.8	Very high	32 Å²	32	32.4 Å²	32.4	22%	0.224	17%	0.171	C	C	.	.			trans	-150.4	173.4	174	67.9	0	0	0	0	112.1	E221 Q485 D486	E221-S483 VanDerWaalsContact CD-CB 3.46Å; E221-S483 WeakPolarHBondContact OE2-CA 3.5Å; E221-S483 VanDerWaalsContact OE2-CB 3.31Å; E221-S483 WeakPolarHBondContact OE2-CB 3.3Å; S483-Q485 PolarHBondContact O-N 2.72Å; S483-Q485 PolarHBondContact OG-N 2.81Å; S483-D486 PolarHBondContact N-OD2 3.36Å; S483-D486 VanDerWaalsContact N-OD2 3.16Å; S483-D486 WeakPolarHBondContact O-CB 3.48Å; S483-D486 PolarHBondContact O-N 2.68Å
484	G	90.3	Very high	94.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-54.8	-22.1	173.5	0	0	0	0	0	114.5	E221 E224 D486 C487 E488	E221-G484 PolarHBondContact OE2-N 2.71Å; E224-G484 WeakPolarHBondContact OE2-CA 3.48Å; E224-G484 PolarHBondContact OE2-N 3.32Å; G484-D486 VanDerWaalsContact C-N 3.32Å; G484-D486 PolarHBondContact O-N 2.77Å; G484-C487 WeakPolarHBondContact O-CB 3.48Å; G484-C487 PolarHBondContact O-N 3.06Å; G484-E488 PolarHBondContact O-N 3.1Å; G484-E488 VanDerWaalsContact O-N 3.12Å
485	Q	93.3	Very high	94.5	Very high	76 Å²	76	32.7 Å²	32.7	36%	0.355	17%	0.172	S	C	.	.	H	α-helix	trans	-66.6	-32.9	174.4	-170.5	62.6	81	0	0	112.6	S483 C487 E488 R489	S483-Q485 PolarHBondContact O-N 2.72Å; S483-Q485 PolarHBondContact OG-N 2.81Å; Q485-C487 VanDerWaalsContact C-N 3.35Å; Q485-E488 PolarHBondContact NE2-OE2 2.8Å; Q485-E488 PolarHBondContact O-N 3.43Å; Q485-R489 VanDerWaalsContact CG-CZ 3.44Å; Q485-R489 WeakPolarHBondContact O-CG 3.26Å; Q485-R489 PolarHBondContact O-N 3.42Å
486	D	96.6	Very high	94.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-68.8	-37.6	175.9	-62.6	-39.5	0	0	0	110.7	A349 K352 L353 S482 S483 G484 E488 R489 L490	A349-D486 HydrophobicContact CB-CB 4.1Å; A349-D486 WeakPolarHBondContact CB-O 3.42Å; K352-D486 WeakPolarHBondContact CD-OD2 3.44Å; L353-D486 HydrophobicContact CD2-CB 4.05Å; L353-D486 HydrophobicContact CG-CB 4Å; S482-D486 VanDerWaalsContact CA-OD2 3.23Å; S482-D486 WeakPolarHBondContact CA-OD2 3.24Å; S482-D486 WeakPolarHBondContact CB-OD2 3.4Å; S482-D486 PolarHBondContact OG-OD2 3.06Å; S483-D486 PolarHBondContact N-OD2 3.36Å; S483-D486 VanDerWaalsContact N-OD2 3.16Å; S483-D486 WeakPolarHBondContact O-CB 3.48Å; S483-D486 PolarHBondContact O-N 2.68Å; G484-D486 VanDerWaalsContact C-N 3.32Å; G484-D486 PolarHBondContact O-N 2.77Å; D486-E488 VanDerWaalsContact C-N 3.34Å; D486-E488 PolarHBondContact O-N 3.42Å; D486-R489 PolarHBondContact O-N 2.92Å; D486-R489 IonicContact OD1-CZ 2.53Å; D486-R489 IonicContact OD1-NH1 3.21Å; D486-R489 PolarHBondContact OD1-NH1 2.99Å; D486-L490 PolarHBondContact O-N 2.68Å
487	C	96.6	Very high	92.8	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.047	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-44.3	171.8	-177.1	0	0	0	0	111.6	L353 G484 Q485 L490 A491 A513 H515 R516	L353-C487 HydrophobicContact CD2-CB 4.44Å; G484-C487 WeakPolarHBondContact O-CB 3.48Å; G484-C487 PolarHBondContact O-N 3.06Å; Q485-C487 VanDerWaalsContact C-N 3.35Å; C487-L490 PolarHBondContact O-N 2.99Å; C487-A491 WeakPolarHBondContact O-CB 3.35Å; C487-A491 PolarHBondContact O-N 2.94Å; C487-A513 PolarHBondContact SG-O 3.36Å; C487-H515 PolarHBondContact SG-N 2.89Å; C487-R516 VanDerWaalsContact SG-CA 3.56Å; C487-R516 PolarHBondContact SG-N 2.9Å
488	E	96	Very high	91	Very high	68 Å²	68	43.3 Å²	43.3	32%	0.318	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-40.8	176	-71.3	174.2	177.6	0	0	112.8	G484 Q485 D486 L490 A491 M492 R516	G484-E488 PolarHBondContact O-N 3.1Å; G484-E488 VanDerWaalsContact O-N 3.12Å; Q485-E488 PolarHBondContact NE2-OE2 2.8Å; Q485-E488 PolarHBondContact O-N 3.43Å; D486-E488 VanDerWaalsContact C-N 3.34Å; D486-E488 PolarHBondContact O-N 3.42Å; E488-L490 VanDerWaalsContact C-N 3.32Å; E488-L490 PolarHBondContact O-N 2.95Å; E488-A491 CarbonylContact O-C 3.55Å; E488-A491 PolarHBondContact O-N 3.48Å; E488-M492 WeakPolarHBondContact O-CG 3.33Å; E488-M492 PolarHBondContact O-N 2.91Å; E488-R516 VanDerWaalsContact OE1-CD 3.24Å; E488-R516 WeakPolarHBondContact OE1-CD 3.44Å; E488-R516 IonicContact OE1-CZ 3Å; E488-R516 IonicContact OE1-NE 3.95Å; E488-R516 IonicContact OE1-NH1 3.95Å; E488-R516 PolarHBondContact OE1-NH1 2.95Å; E488-R516 IonicContact OE2-NH1 3.92Å
489	R	97.2	Very high	89.3	Confident	79 Å²	79	46.9 Å²	46.9	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-41.2	174.4	-75.2	176.7	-171.8	115	5.7	111.5	K346 A349 Q485 D486 A491 M492	K346-R489 PolarHBondContact NZ-O 2.87Å; A349-R489 HydrophobicContact CB-CB 3.81Å; Q485-R489 VanDerWaalsContact CG-CZ 3.44Å; Q485-R489 WeakPolarHBondContact O-CG 3.26Å; Q485-R489 PolarHBondContact O-N 3.42Å; D486-R489 PolarHBondContact O-N 2.92Å; D486-R489 IonicContact OD1-CZ 2.53Å; D486-R489 IonicContact OD1-NH1 3.21Å; D486-R489 PolarHBondContact OD1-NH1 2.99Å; R489-A491 VanDerWaalsContact C-N 3.34Å; R489-M492 PolarHBondContact O-N 2.92Å
490	L	98.2	Very high	87.5	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-46.3	174.1	-178.7	60.4	0	0	0	110.5	L327 L330 K346 I350 L353 D486 C487 E488 M492 F509 A513 T514	L327-L490 HydrophobicContact CD1-CD2 4.3Å; L330-L490 HydrophobicContact CD1-CD1 3.99Å; K346-L490 PolarHBondContact NZ-O 3.07Å; I350-L490 HydrophobicContact CD1-CD1 4.48Å; I350-L490 HydrophobicContact CG1-CD1 3.85Å; L353-L490 HydrophobicContact CD1-CB 4.14Å; L353-L490 HydrophobicContact CD1-CD2 3.72Å; D486-L490 PolarHBondContact O-N 2.68Å; C487-L490 PolarHBondContact O-N 2.99Å; E488-L490 VanDerWaalsContact C-N 3.32Å; E488-L490 PolarHBondContact O-N 2.95Å; L490-M492 VanDerWaalsContact C-N 3.31Å; L490-M492 PolarHBondContact O-N 3.39Å; L490-F509 VanDerWaalsContact O-CB 3.28Å; L490-F509 WeakPolarHBondContact O-CB 3.44Å; L490-F509 WeakPolarHBondContact O-CG 3.43Å; L490-A513 HydrophobicContact CD2-CB 4.02Å; L490-T514 HydrophobicContact CD2-CG2 4.2Å; L490-T514 HydrophobicContact CG-CG2 4.14Å
491	A	98	Very high	85.9	Confident	10 Å²	10	53.2 Å²	53.2	8%	0.083	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-20	179.9	0	0	0	0	0	114.9	C487 E488 R489	C487-A491 WeakPolarHBondContact O-CB 3.35Å; C487-A491 PolarHBondContact O-N 2.94Å; E488-A491 CarbonylContact O-C 3.55Å; E488-A491 PolarHBondContact O-N 3.48Å; R489-A491 VanDerWaalsContact C-N 3.34Å
492	M	96.5	Very high	84.5	Confident	84 Å²	84	51.3 Å²	51.3	41%	0.414	28%	0.278	S	S	.	.			trans	-63.9	128.7	-178.7	-86.2	-176.6	75.5	0	0	111.7	K346 E488 R489 L490 Y496	K346-M492 PolarHBondContact NZ-O 2.87Å; E488-M492 WeakPolarHBondContact O-CG 3.33Å; E488-M492 PolarHBondContact O-N 2.91Å; R489-M492 PolarHBondContact O-N 2.92Å; L490-M492 VanDerWaalsContact C-N 3.31Å; L490-M492 PolarHBondContact O-N 3.39Å; M492-Y496 HydrophobicContact CB-CE1 4.09Å; M492-Y496 HydrophobicContact CE-CD1 3.87Å; M492-Y496 HydrophobicContact CE-CE1 4.09Å
493	P	96.1	Very high	83.3	Confident	14 Å²	14	54.1 Å²	54.1	9%	0.091	30%	0.295	C	S	.	.			trans	-73.6	157.3	177.4	32.4	-37.1	0	0	0	111.7	L505 V507 L508	P493-L505 HydrophobicContact CB-CD2 3.65Å; P493-L505 HydrophobicContact CG-CD2 3.38Å; P493-V507 CarbonylContact C-O 3.6Å; P493-V507 VanDerWaalsContact CA-O 3.24Å; P493-V507 WeakPolarHBondContact CA-O 3.2Å; P493-L508 HydrophobicContact CB-CB 4.5Å; P493-L508 HydrophobicContact CB-CG 4.09Å
494	L	94.3	Very high	82.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-112.7	152.6	176	-60.6	174	0	0	0	111.1	W266 L342 P343 K346 Y496 L505 Q506 V507 F509	W266-L494 HydrophobicContact CE3-CB 4.35Å; W266-L494 HydrophobicContact CH2-CB 4.24Å; W266-L494 HydrophobicContact CH2-CD1 4.17Å; W266-L494 HydrophobicContact CZ2-CD1 4.07Å; W266-L494 HydrophobicContact CZ3-CB 3.99Å; L342-L494 HydrophobicContact CD2-CD1 3.67Å; P343-L494 HydrophobicContact CG-CD2 3.72Å; K346-L494 HydrophobicContact CD-CD1 4.18Å; L494-Y496 HydrophobicContact CD2-CD1 3.75Å; L494-Y496 HydrophobicContact CD2-CE1 3.4Å; L494-Y496 VanDerWaalsContact CD2-CE1 3.4Å; L494-Y496 HydrophobicContact CD2-CE2 4.34Å; L494-Y496 HydrophobicContact CD2-CG 4.34Å; L494-L505 CarbonylContact O-C 3.54Å; L494-Q506 WeakPolarHBondContact O-CA 3.4Å; L494-Q506 PolarHBondContact O-N 2.82Å; L494-V507 HydrophobicContact CB-CB 4.19Å; L494-V507 PolarHBondContact N-O 3.13Å; L494-V507 PolarHBondContact O-N 2.82Å; L494-F509 HydrophobicContact CD1-CE2 4.13Å; L494-F509 HydrophobicContact CD1-CZ 4.39Å; L494-F509 HydrophobicContact CG-CE2 4.25Å
495	P	91.2	Very high	82.9	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.071	32%	0.315	C	S	.	.	S	Bend	cis	-65.4	154.6	-11	29.1	-35.2	0	0	0	111.5	W266 A497 A502 P503	W266-P495 HydrophobicContact CZ3-CB 4.15Å; P495-A497 PolarHBondContact O-N 3.29Å; P495-A502 HydrophobicContact CG-CB 4.31Å; P495-P503 WeakPolarHBondContact CD-O 3.41Å; P495-P503 WeakPolarHBondContact CG-O 3.43Å
496	Y	86.2	Confident	83	Confident	45 Å²	45	54.8 Å²	54.8	18%	0.176	30%	0.298	C	S	.	.			trans	-62.3	137.9	172.9	-59.9	-36.6	0	0	0	110.3	P343 D345 M492 L494 N498 S499	P343-Y496 HydrophobicContact CB-CE2 3.8Å; P343-Y496 HydrophobicContact CG-CE2 3.85Å; D345-Y496 VanDerWaalsContact CG-OH 3.3Å; D345-Y496 WeakPolarHBondContact OD1-CE2 3.46Å; D345-Y496 PolarHBondContact OD1-OH 3.16Å; D345-Y496 PolarHBondContact OD2-OH 3.18Å; M492-Y496 HydrophobicContact CB-CE1 4.09Å; M492-Y496 HydrophobicContact CE-CD1 3.87Å; M492-Y496 HydrophobicContact CE-CE1 4.09Å; L494-Y496 HydrophobicContact CD2-CD1 3.75Å; L494-Y496 HydrophobicContact CD2-CE1 3.4Å; L494-Y496 VanDerWaalsContact CD2-CE1 3.4Å; L494-Y496 HydrophobicContact CD2-CE2 4.34Å; L494-Y496 HydrophobicContact CD2-CG 4.34Å; Y496-N498 PolarHBondContact O-N 2.75Å; Y496-S499 WeakPolarHBondContact O-CB 3.44Å; Y496-S499 PolarHBondContact O-N 3.15Å
497	A	69	Low	83	Confident	81 Å²	81	54.6 Å²	54.6	67%	0.669	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.9	-170.9	0	0	0	0	0	114.9	P495	P495-A497 PolarHBondContact O-N 3.29Å
498	N	58.9	Low	83.1	Confident	166 Å²	166	54.3 Å²	54.3	89%	0.888	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	0.8	-176.6	-61.7	-12.9	0	0	0	114.1	Y496	Y496-N498 PolarHBondContact O-N 2.75Å
499	S	55.5	Low	83.3	Confident	83 Å²	83	51.1 Å²	51.1	58%	0.58	28%	0.28	S	S	*	.	S	Bend	trans	-103.5	-25.6	-158.7	-169	0	0	0	0	116	Y496	Y496-S499 WeakPolarHBondContact O-CB 3.44Å; Y496-S499 PolarHBondContact O-N 3.15Å
500	T	55.8	Low	83.3	Confident	72 Å²	72	47.5 Å²	47.5	44%	0.442	27%	0.267	S	S	.	.			trans	-156.4	164.9	-171.9	57	0	0	0	0	114.4	A502	T500-A502 PolarHBondContact O-N 3.29Å; T500-A502 WeakPolarHBondContact OG1-CB 3.48Å; T500-A502 PolarHBondContact OG1-N 3.18Å
501	K	60.1	Low	83.3	Confident	222 Å²	222	47.8 Å²	47.8	97%	0.965	27%	0.27	S	S	*	.	S	Bend	trans	-73.5	8.5	162.1	-67.7	-177.4	178.9	177.9	0	112.8
502	A	61.4	Low	83.3	Confident	14 Å²	14	47.6 Å²	47.6	12%	0.116	27%	0.268	C	S	.	.	S	Bend	trans	-77.1	155	-176.6	0	0	0	0	0	110.8	N267 P495 T500 L504	N267-A502 WeakPolarHBondContact OD1-CB 3.45Å; P495-A502 HydrophobicContact CG-CB 4.31Å; T500-A502 PolarHBondContact O-N 3.29Å; T500-A502 WeakPolarHBondContact OG1-CB 3.48Å; T500-A502 PolarHBondContact OG1-N 3.18Å; A502-L504 PolarHBondContact O-N 3.35Å
503	P	67.6	Low	83.4	Confident	65 Å²	65	44 Å²	44	42%	0.422	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-52.9	134.8	172.8	-26.4	34.4	0	0	0	111.4	P305 P495 Q506	P305-P503 HydrophobicContact CB-CG 4.15Å; P495-P503 WeakPolarHBondContact CD-O 3.41Å; P495-P503 WeakPolarHBondContact CG-O 3.43Å; P503-Q506 WeakPolarHBondContact O-CG 3.5Å; P503-Q506 PolarHBondContact O-NE2 2.89Å; P503-Q506 VanDerWaalsContact O-NE2 3.15Å
504	L	82.7	Confident	83.5	Confident	101 Å²	101	43.7 Å²	43.7	53%	0.529	25%	0.249	S	C	.	.	S	Bend	trans	-67	155.1	177.5	-64.1	172.9	0	0	0	110.9	A502 Q506	A502-L504 PolarHBondContact O-N 3.35Å; L504-Q506 PolarHBondContact O-N 2.81Å
505	L	90.3	Very high	83.6	Confident	22 Å²	22	45.3 Å²	45.3	12%	0.115	26%	0.256	C	S	.	.			trans	56.6	43	171.1	-52.8	-175.6	0	0	0	115.3	H320 P493 L494 L508 R535 L536 V539	H320-L505 PolarHBondContact ND1-O 3.49Å; P493-L505 HydrophobicContact CB-CD2 3.65Å; P493-L505 HydrophobicContact CG-CD2 3.38Å; L494-L505 CarbonylContact O-C 3.54Å; L505-L508 HydrophobicContact CB-CD1 4.46Å; L505-L508 HydrophobicContact CB-CD2 4.44Å; L505-L508 VanDerWaalsContact O-CD1 3.27Å; L505-L508 WeakPolarHBondContact O-CD1 3.25Å; L505-R535 HydrophobicContact CD1-CG 3.81Å; L505-R535 HydrophobicContact CD2-CG 4.4Å; L505-L536 HydrophobicContact CB-CD2 4.17Å; L505-L536 HydrophobicContact CD1-CD2 4.2Å; L505-V539 HydrophobicContact CD1-CG2 3.52Å; L505-V539 HydrophobicContact CG-CG2 4.49Å
506	Q	94.2	Very high	83.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-66.4	-50.3	175.6	-70.9	178.1	22.6	0	0	112.5	P305 I306 H320 V321 L494 P503 L504	P305-Q506 HydrophobicContact CB-CG 4.24Å; I306-Q506 HydrophobicContact CD1-CB 3.69Å; I306-Q506 HydrophobicContact CD1-CG 4.26Å; I306-Q506 WeakPolarHBondContact CD1-O 3.49Å; I306-Q506 HydrophobicContact CG1-CB 4.01Å; I306-Q506 HydrophobicContact CG1-CG 4.25Å; H320-Q506 CarbonylContact C-O 3.58Å; H320-Q506 WeakPolarHBondContact CA-O 3.5Å; V321-Q506 PolarHBondContact N-O 2.91Å; L494-Q506 WeakPolarHBondContact O-CA 3.4Å; L494-Q506 PolarHBondContact O-N 2.82Å; P503-Q506 WeakPolarHBondContact O-CG 3.5Å; P503-Q506 PolarHBondContact O-NE2 2.89Å; P503-Q506 VanDerWaalsContact O-NE2 3.15Å; L504-Q506 PolarHBondContact O-N 2.81Å
507	V	97.8	Very high	84	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	112.7	-177.2	-171.9	0	0	0	0	108.9	I264 W266 V321 V323 F338 P493 L494 F509	I264-V507 HydrophobicContact CG2-CG2 4.37Å; W266-V507 HydrophobicContact CB-CG2 3.65Å; W266-V507 HydrophobicContact CD2-CG2 4.19Å; W266-V507 HydrophobicContact CG-CG2 3.78Å; V321-V507 WeakPolarHBondContact O-CA 2.89Å; V323-V507 HydrophobicContact CG2-CG1 3.73Å; F338-V507 HydrophobicContact CE1-CG1 3.89Å; P493-V507 CarbonylContact C-O 3.6Å; P493-V507 VanDerWaalsContact CA-O 3.24Å; P493-V507 WeakPolarHBondContact CA-O 3.2Å; L494-V507 HydrophobicContact CB-CB 4.19Å; L494-V507 PolarHBondContact N-O 3.13Å; L494-V507 PolarHBondContact O-N 2.82Å; V507-F509 HydrophobicContact CB-CE2 4.41Å; V507-F509 HydrophobicContact CG1-CE1 4.49Å; V507-F509 HydrophobicContact CG1-CE2 3.77Å; V507-F509 HydrophobicContact CG1-CZ 3.73Å
508	L	98.6	Very high	85.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	152	177.6	-53.9	92.2	0	0	0	109.3	H320 V321 I322 V323 P493 L505 E532 R535 L536	H320-L508 HydrophobicContact CB-CD1 4.24Å; V321-L508 WeakPolarHBondContact O-CD1 3.5Å; V321-L508 PolarHBondContact O-N 2.86Å; I322-L508 HydrophobicContact CG1-CB 4.36Å; I322-L508 HydrophobicContact CG1-CD1 4.33Å; V323-L508 PolarHBondContact N-O 3.43Å; P493-L508 HydrophobicContact CB-CB 4.5Å; P493-L508 HydrophobicContact CB-CG 4.09Å; L505-L508 HydrophobicContact CB-CD1 4.46Å; L505-L508 HydrophobicContact CB-CD2 4.44Å; L505-L508 VanDerWaalsContact O-CD1 3.27Å; L505-L508 WeakPolarHBondContact O-CD1 3.25Å; L508-E532 HydrophobicContact CB-CB 4.22Å; L508-E532 HydrophobicContact CB-CG 4.19Å; L508-E532 HydrophobicContact CD2-CB 4.19Å; L508-E532 WeakPolarHBondContact CD2-OE2 3.41Å; L508-R535 HydrophobicContact CD2-CB 4.49Å; L508-L536 HydrophobicContact CD1-CD1 4.27Å; L508-L536 HydrophobicContact CD1-CD2 3.98Å; L508-L536 HydrophobicContact CD1-CG 4.29Å; L508-L536 HydrophobicContact CD2-CD2 4.01Å; L508-L536 HydrophobicContact CD2-CG 3.91Å
509	F	98.8	Very high	86.9	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.4	-177.3	-65	-94.1	0	0	0	110	V323 F338 L342 K346 L490 L494 V507 T514 R531 E532	V323-F509 HydrophobicContact CB-CD1 4.02Å; V323-F509 HydrophobicContact CB-CE1 4.22Å; V323-F509 HydrophobicContact CG1-CD1 4.3Å; V323-F509 HydrophobicContact CG1-CE1 4.36Å; V323-F509 HydrophobicContact CG2-CE1 4.37Å; F338-F509 HydrophobicContact CE1-CE1 4.24Å; F338-F509 HydrophobicContact CE1-CZ 4.08Å; F338-F509 AromaticContact CZ-CE1 3.83Å; F338-F509 HydrophobicContact CZ-CE1 3.83Å; F338-F509 HydrophobicContact CZ-CZ 4.1Å; L342-F509 HydrophobicContact CD2-CZ 4.13Å; K346-F509 HydrophobicContact CD-CE1 4.44Å; K346-F509 HydrophobicContact CD-CE2 3.88Å; K346-F509 HydrophobicContact CD-CZ 3.78Å; L490-F509 VanDerWaalsContact O-CB 3.28Å; L490-F509 WeakPolarHBondContact O-CB 3.44Å; L490-F509 WeakPolarHBondContact O-CG 3.43Å; L494-F509 HydrophobicContact CD1-CE2 4.13Å; L494-F509 HydrophobicContact CD1-CZ 4.39Å; L494-F509 HydrophobicContact CG-CE2 4.25Å; V507-F509 HydrophobicContact CB-CE2 4.41Å; V507-F509 HydrophobicContact CG1-CE1 4.49Å; V507-F509 HydrophobicContact CG1-CE2 3.77Å; V507-F509 HydrophobicContact CG1-CZ 3.73Å; F509-T514 HydrophobicContact CB-CG2 4.28Å; F509-R531 PolarHBondContact O-NH2 3.19Å; F509-E532 WeakPolarHBondContact O-CG 3.15Å
510	A	98.8	Very high	88.7	Confident	3 Å²	3	42.3 Å²	42.3	3%	0.025	21%	0.209	C	C	.	.			trans	-129.4	174.7	172.7	0	0	0	0	0	109.8	A35 I322 V323 T324 T514 E532	A35-A510 HydrophobicContact CB-CB 4.35Å; I322-A510 HydrophobicContact CG2-CB 4.12Å; V323-A510 PolarHBondContact O-N 2.98Å; T324-A510 WeakPolarHBondContact CA-O 3.48Å; T324-A510 HydrophobicContact CG2-CB 4.08Å; A510-T514 WeakPolarHBondContact CA-OG1 3.41Å; A510-E532 HydrophobicContact CB-CG 3.95Å
511	G	98.5	Very high	90.7	Very high	7 Å²	7	39.4 Å²	39.4	7%	0.072	19%	0.192	C	C	.	.	S	Bend	trans	117.8	162.1	-171.3	0	0	0	0	0	111.7	A513 T514 S528	G511-A513 VanDerWaalsContact C-N 3.26Å; G511-A513 PolarHBondContact O-N 2.91Å; G511-T514 PolarHBondContact N-OG1 3.27Å; G511-T514 WeakPolarHBondContact O-CB 3.45Å; G511-T514 PolarHBondContact O-N 3.43Å; G511-T514 PolarHBondContact O-OG1 3.01Å; G511-S528 WeakPolarHBondContact CA-OG 3.08Å; G511-S528 PolarHBondContact N-OG 2.97Å; G511-S528 PolarHBondContact O-OG 2.89Å
512	E	97.9	Very high	92.5	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.033	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-54.5	-39.8	-175.3	56.9	80.7	-166.6	0	0	113.1	R63 S476 T514 H515 Y519 S520 A525	R63-E512 IonicContact CZ-OE1 3.55Å; R63-E512 IonicContact NH1-OE1 3.74Å; R63-E512 PolarHBondContact NH1-OE1 2.89Å; R63-E512 IonicContact NH2-OE1 2.64Å; R63-E512 PolarHBondContact NH2-OE1 2.98Å; S476-E512 PolarHBondContact N-OE1 2.8Å; S476-E512 PolarHBondContact OG-OE2 2.75Å; E512-T514 PolarHBondContact O-N 2.82Å; E512-H515 PolarHBondContact O-N 2.94Å; E512-Y519 WeakPolarHBondContact O-CA 3.4Å; E512-S520 WeakPolarHBondContact OE2-CA 3.46Å; E512-S520 PolarHBondContact OE2-N 3.05Å; E512-A525 HydrophobicContact CB-CB 4.24Å
513	A	97.8	Very high	94.2	Very high	7 Å²	7	29 Å²	29	6%	0.058	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-67.8	-8	179.7	0	0	0	0	0	113.8	L327 C487 L490 G511	L327-A513 HydrophobicContact CB-CB 3.95Å; L327-A513 HydrophobicContact CD2-CB 4.34Å; C487-A513 PolarHBondContact SG-O 3.36Å; L490-A513 HydrophobicContact CD2-CB 4.02Å; G511-A513 VanDerWaalsContact C-N 3.26Å; G511-A513 PolarHBondContact O-N 2.91Å
514	T	98.3	Very high	95.6	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.049	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-100.5	3.8	178.1	78	0	0	0	0	112.6	L490 F509 A510 G511 E512 S528 R531	L490-T514 HydrophobicContact CD2-CG2 4.2Å; L490-T514 HydrophobicContact CG-CG2 4.14Å; F509-T514 HydrophobicContact CB-CG2 4.28Å; A510-T514 WeakPolarHBondContact CA-OG1 3.41Å; G511-T514 PolarHBondContact N-OG1 3.27Å; G511-T514 WeakPolarHBondContact O-CB 3.45Å; G511-T514 PolarHBondContact O-N 3.43Å; G511-T514 PolarHBondContact O-OG1 3.01Å; E512-T514 PolarHBondContact O-N 2.82Å; T514-S528 WeakPolarHBondContact OG1-CB 3.46Å; T514-R531 PolarHBondContact O-NH1 3.21Å; T514-R531 PolarHBondContact OG1-NH2 3.04Å
515	H	96.7	Very high	96.4	Very high	35 Å²	35	21.7 Å²	21.7	16%	0.162	10%	0.104	C	C	.	.			trans	-112.2	95.4	-178.8	-163.6	-61.6	0	0	0	112.3	C487 E512 K517 Y518 Y519	C487-H515 PolarHBondContact SG-N 2.89Å; E512-H515 PolarHBondContact O-N 2.94Å; H515-K517 VanDerWaalsContact C-N 3.29Å; H515-K517 PolarHBondContact O-N 3.41Å; H515-Y518 AromaticContact CE1-CD2 3.09Å; H515-Y518 WeakPolarHBondContact CE1-CD2 3.47Å; H515-Y518 AromaticContact CE1-CE2 3.79Å; H515-Y518 AromaticContact CE1-CG 3.73Å; H515-Y518 WeakPolarHBondContact ND1-CB 3.47Å; H515-Y518 AromaticContact ND1-CD2 3.64Å; H515-Y518 AromaticContact ND1-CG 3.83Å; H515-Y518 PolarHBondContact ND1-N 2.93Å; H515-Y518 AromaticContact NE2-CD2 3.64Å; H515-Y518 CarbonylContact O-C 3.48Å; H515-Y518 PolarHBondContact O-N 3.15Å; H515-Y519 PolarHBondContact O-N 3.03Å
516	R	93.3	Very high	96.8	Very high	93 Å²	93	20.8 Å²	20.8	35%	0.351	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-40.5	-172.8	-175.6	174.2	175.8	174.1	5.1	116.1	E224 C487 E488 Y519	E224-R516 HydrophobicContact CG-CG 4.39Å; E224-R516 IonicContact OE1-CZ 2.7Å; E224-R516 IonicContact OE1-NE 3.39Å; E224-R516 PolarHBondContact OE1-NE 3.4Å; E224-R516 IonicContact OE1-NH2 3.61Å; E224-R516 PolarHBondContact OE1-NH2 2.96Å; C487-R516 VanDerWaalsContact SG-CA 3.56Å; C487-R516 PolarHBondContact SG-N 2.9Å; E488-R516 VanDerWaalsContact OE1-CD 3.24Å; E488-R516 WeakPolarHBondContact OE1-CD 3.44Å; E488-R516 IonicContact OE1-CZ 3Å; E488-R516 IonicContact OE1-NE 3.95Å; E488-R516 IonicContact OE1-NH1 3.95Å; E488-R516 PolarHBondContact OE1-NH1 2.95Å; E488-R516 IonicContact OE2-NH1 3.92Å; R516-Y519 WeakPolarHBondContact O-CD1 3.29Å
517	K	91.9	Very high	97	Very high	119 Å²	119	23 Å²	23	52%	0.517	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-22	-177.5	-65.6	-170.5	177	-172.6	0	115.5	T226 H515	T226-K517 PolarHBondContact N-O 2.73Å; H515-K517 VanDerWaalsContact C-N 3.29Å; H515-K517 PolarHBondContact O-N 3.41Å
518	Y	94.4	Very high	97	Very high	52 Å²	52	23 Å²	23	20%	0.204	11%	0.112	C	C	.	.	S	Bend	trans	-132.4	29.3	-167.7	-56	-44.7	0	0	0	110.4	T226 I228 H515 T521 H523 G524 L527	T226-Y518 HydrophobicContact CG2-CE1 4.32Å; T226-Y518 WeakPolarHBondContact O-CD1 3.47Å; T226-Y518 VanDerWaalsContact O-CE1 3.31Å; T226-Y518 WeakPolarHBondContact O-CE1 3.27Å; I228-Y518 HydrophobicContact CD1-CE1 4.24Å; I228-Y518 HydrophobicContact CG1-CD1 4.46Å; I228-Y518 HydrophobicContact CG1-CE1 3.8Å; H515-Y518 AromaticContact CE1-CD2 3.09Å; H515-Y518 WeakPolarHBondContact CE1-CD2 3.47Å; H515-Y518 AromaticContact CE1-CE2 3.79Å; H515-Y518 AromaticContact CE1-CG 3.73Å; H515-Y518 WeakPolarHBondContact ND1-CB 3.47Å; H515-Y518 AromaticContact ND1-CD2 3.64Å; H515-Y518 AromaticContact ND1-CG 3.83Å; H515-Y518 PolarHBondContact ND1-N 2.93Å; H515-Y518 AromaticContact NE2-CD2 3.64Å; H515-Y518 CarbonylContact O-C 3.48Å; H515-Y518 PolarHBondContact O-N 3.15Å; Y518-T521 PolarHBondContact O-N 3.25Å; Y518-T521 PolarHBondContact O-OG1 3.5Å; Y518-H523 AromaticContact CD1-NE2 3.73Å; Y518-H523 AromaticContact CG-CD2 3.7Å; Y518-H523 AromaticContact CG-NE2 3.75Å; Y518-G524 WeakPolarHBondContact O-CA 3.36Å; Y518-L527 HydrophobicContact CD2-CD1 3.72Å; Y518-L527 HydrophobicContact CE2-CD1 3.93Å
519	Y	93.9	Very high	97	Very high	30 Å²	30	23 Å²	23	12%	0.118	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	153.8	174.9	61.4	-95.9	0	0	0	109.5	W225 E512 H515 R516 T521	W225-Y519 HydrophobicContact CB-CE1 3.85Å; W225-Y519 AromaticContact CD1-CE1 3.89Å; W225-Y519 AromaticContact CD1-CE2 3.95Å; W225-Y519 AromaticContact CD1-CZ 3.79Å; W225-Y519 HydrophobicContact CG-CE1 4.3Å; W225-Y519 PolarHBondContact NE1-O 3.25Å; E512-Y519 WeakPolarHBondContact O-CA 3.4Å; H515-Y519 PolarHBondContact O-N 3.03Å; R516-Y519 WeakPolarHBondContact O-CD1 3.29Å; Y519-T521 PolarHBondContact O-N 3.4Å
520	S	94.9	Very high	97	Very high	30 Å²	30	26.4 Å²	26.4	21%	0.21	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	12	180	-57.1	0	0	0	0	116.9	Y475 S476 E512	Y475-S520 VanDerWaalsContact CD2-CB 3.5Å; S476-S520 VanDerWaalsContact C-OG 3.27Å; S476-S520 PolarHBondContact N-OG 2.86Å; S476-S520 VanDerWaalsContact N-OG 3.14Å; S476-S520 PolarHBondContact O-OG 3.27Å; S476-S520 PolarHBondContact OG-OG 3.22Å; E512-S520 WeakPolarHBondContact OE2-CA 3.46Å; E512-S520 PolarHBondContact OE2-N 3.05Å
521	T	96.8	Very high	97	Very high	11 Å²	11	29.7 Å²	29.7	7%	0.067	14%	0.139	C	C	.	.	S	Bend	trans	-121.7	155.7	-178.9	72.5	0	0	0	0	113	W225 Y518 Y519 H523 G524 A525	W225-T521 HydrophobicContact CZ2-CG2 4.47Å; Y518-T521 PolarHBondContact O-N 3.25Å; Y518-T521 PolarHBondContact O-OG1 3.5Å; Y519-T521 PolarHBondContact O-N 3.4Å; T521-H523 WeakPolarHBondContact CB-CE1 3.49Å; T521-H523 VanDerWaalsContact CG2-CE1 3.49Å; T521-H523 WeakPolarHBondContact CG2-CE1 2.95Å; T521-H523 PolarHBondContact OG1-CD2 3.16Å; T521-H523 PolarHBondContact OG1-CE1 2.78Å; T521-H523 VanDerWaalsContact OG1-CE1 3.26Å; T521-H523 PolarHBondContact OG1-ND1 3.42Å; T521-H523 PolarHBondContact OG1-NE2 3.35Å; T521-G524 PolarHBondContact O-N 2.53Å; T521-G524 PolarHBondContact OG1-N 2.97Å; T521-A525 PolarHBondContact O-N 2.84Å; T521-A525 VanDerWaalsContact O-N 3.07Å
522	T	97.4	Very high	97	Very high	16 Å²	16	29.4 Å²	29.4	10%	0.098	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-40	173.1	47.5	0	0	0	0	112.2	L34 V64 A78 F239 A525 L526	L34-T522 VanDerWaalsContact CD2-CB 3.46Å; L34-T522 HydrophobicContact CD2-CG2 3.84Å; V64-T522 HydrophobicContact CG2-CG2 4.08Å; A78-T522 HydrophobicContact CB-CG2 3.5Å; A78-T522 VanDerWaalsContact CB-CG2 3.5Å; F239-T522 HydrophobicContact CE1-CG2 3.86Å; F239-T522 HydrophobicContact CZ-CG2 4.15Å; T522-A525 PolarHBondContact O-N 3.09Å; T522-L526 WeakPolarHBondContact O-CB 3.25Å; T522-L526 PolarHBondContact O-N 3.1Å
523	H	97.3	Very high	97	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-70.5	-37.4	177.5	57	-92	0	0	0	112.1	P88 V89 Y518 T521 L526 L527	P88-H523 HydrophobicContact CG-CB 4.09Å; V89-H523 HydrophobicContact CG2-CB 3.87Å; Y518-H523 AromaticContact CD1-NE2 3.73Å; Y518-H523 AromaticContact CG-CD2 3.7Å; Y518-H523 AromaticContact CG-NE2 3.75Å; T521-H523 WeakPolarHBondContact CB-CE1 3.49Å; T521-H523 VanDerWaalsContact CG2-CE1 3.49Å; T521-H523 WeakPolarHBondContact CG2-CE1 2.95Å; T521-H523 PolarHBondContact OG1-CD2 3.16Å; T521-H523 PolarHBondContact OG1-CE1 2.78Å; T521-H523 VanDerWaalsContact OG1-CE1 3.26Å; T521-H523 PolarHBondContact OG1-ND1 3.42Å; T521-H523 PolarHBondContact OG1-NE2 3.35Å; H523-L526 PolarHBondContact O-N 3.44Å; H523-L527 WeakPolarHBondContact O-CB 3.34Å; H523-L527 WeakPolarHBondContact O-CG 3.28Å; H523-L527 PolarHBondContact O-N 3.13Å
524	G	97.9	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-42.5	171.3	0	0	0	0	0	112.7	Y518 T521 S528	Y518-G524 WeakPolarHBondContact O-CA 3.36Å; T521-G524 PolarHBondContact O-N 2.53Å; T521-G524 PolarHBondContact OG1-N 2.97Å; G524-S528 WeakPolarHBondContact O-CB 3.49Å; G524-S528 PolarHBondContact O-N 2.85Å; G524-S528 PolarHBondContact O-OG 2.95Å
525	A	98.6	Very high	96.9	Very high	12 Å²	12	34.5 Å²	34.5	10%	0.099	16%	0.159	C	C	.	.	H	α-helix	trans	-60.2	-50.9	172.9	0	0	0	0	0	111.7	L34 A35 E512 T521 T522 L527 S528 G529	L34-A525 HydrophobicContact CB-CB 4.19Å; A35-A525 VanDerWaalsContact CA-O 3.32Å; A35-A525 WeakPolarHBondContact CA-O 3.46Å; A35-A525 HydrophobicContact CB-CB 4.25Å; A35-A525 VanDerWaalsContact CB-O 3.26Å; A35-A525 WeakPolarHBondContact CB-O 3.18Å; E512-A525 HydrophobicContact CB-CB 4.24Å; T521-A525 PolarHBondContact O-N 2.84Å; T521-A525 VanDerWaalsContact O-N 3.07Å; T522-A525 PolarHBondContact O-N 3.09Å; A525-L527 PolarHBondContact O-N 2.79Å; A525-S528 PolarHBondContact O-N 3.3Å; A525-S528 PolarHBondContact O-OG 3.14Å; A525-G529 PolarHBondContact O-N 3.43Å; A525-G529 VanDerWaalsContact O-N 3.1Å
526	L	98.6	Very high	96.8	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-56.1	-50.7	178.3	-178.6	158.6	0	0	0	111.5	A38 P88 V89 L246 T522 H523 S528 G529 Q530	A38-L526 HydrophobicContact CB-CG 4.08Å; P88-L526 HydrophobicContact CB-CD2 3.97Å; P88-L526 HydrophobicContact CG-CD2 3.97Å; V89-L526 HydrophobicContact CG2-CD1 4.03Å; L246-L526 HydrophobicContact CD1-CD1 4.45Å; L246-L526 HydrophobicContact CD2-CD1 4.31Å; T522-L526 WeakPolarHBondContact O-CB 3.25Å; T522-L526 PolarHBondContact O-N 3.1Å; H523-L526 PolarHBondContact O-N 3.44Å; L526-S528 PolarHBondContact O-N 3.38Å; L526-G529 PolarHBondContact O-N 2.92Å; L526-Q530 VanDerWaalsContact CD2-CD 3.46Å; L526-Q530 HydrophobicContact CD2-CG 4.22Å; L526-Q530 WeakPolarHBondContact O-CG 3.42Å; L526-Q530 PolarHBondContact O-N 3.25Å; L526-Q530 VanDerWaalsContact O-N 3.09Å
527	L	98.5	Very high	96.7	Very high	47 Å²	47	29.8 Å²	29.8	25%	0.246	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-39.2	-179.4	-71.2	169.2	0	0	0	112.1	P88 Y518 H523 A525 G529 Q530 R531	P88-L527 HydrophobicContact CG-CD1 4.37Å; P88-L527 HydrophobicContact CG-CD2 4.09Å; P88-L527 HydrophobicContact CG-CG 4.07Å; Y518-L527 HydrophobicContact CD2-CD1 3.72Å; Y518-L527 HydrophobicContact CE2-CD1 3.93Å; H523-L527 WeakPolarHBondContact O-CB 3.34Å; H523-L527 WeakPolarHBondContact O-CG 3.28Å; H523-L527 PolarHBondContact O-N 3.13Å; A525-L527 PolarHBondContact O-N 2.79Å; L527-G529 VanDerWaalsContact C-N 3.33Å; L527-G529 PolarHBondContact O-N 3.1Å; L527-Q530 PolarHBondContact O-N 2.94Å; L527-R531 WeakPolarHBondContact O-CB 3.38Å; L527-R531 PolarHBondContact O-N 2.8Å
528	S	98.8	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.8	-35.6	176.4	70.7	0	0	0	0	112.9	G511 T514 G524 A525 L526 R531 E532	G511-S528 WeakPolarHBondContact CA-OG 3.08Å; G511-S528 PolarHBondContact N-OG 2.97Å; G511-S528 PolarHBondContact O-OG 2.89Å; T514-S528 WeakPolarHBondContact OG1-CB 3.46Å; G524-S528 WeakPolarHBondContact O-CB 3.49Å; G524-S528 PolarHBondContact O-N 2.85Å; G524-S528 PolarHBondContact O-OG 2.95Å; A525-S528 PolarHBondContact O-N 3.3Å; A525-S528 PolarHBondContact O-OG 3.14Å; L526-S528 PolarHBondContact O-N 3.38Å; S528-R531 WeakPolarHBondContact O-CB 3.19Å; S528-R531 PolarHBondContact O-N 3.31Å; S528-E532 PolarHBondContact O-N 3.35Å
529	G	98.8	Very high	96.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-45.5	173.8	0	0	0	0	0	112	A35 A39 A525 L526 L527 R531 E532 A533	A35-G529 WeakPolarHBondContact O-CA 3.15Å; A39-G529 WeakPolarHBondContact CA-O 3.49Å; A39-G529 WeakPolarHBondContact CB-O 3.29Å; A525-G529 PolarHBondContact O-N 3.43Å; A525-G529 VanDerWaalsContact O-N 3.1Å; L526-G529 PolarHBondContact O-N 2.92Å; L527-G529 VanDerWaalsContact C-N 3.33Å; L527-G529 PolarHBondContact O-N 3.1Å; G529-R531 VanDerWaalsContact C-N 3.29Å; G529-R531 PolarHBondContact O-N 2.86Å; G529-E532 PolarHBondContact O-N 3.48Å; G529-A533 PolarHBondContact O-N 3.36Å; G529-A533 VanDerWaalsContact O-N 3.08Å
530	Q	98.6	Very high	95.9	Very high	72 Å²	72	30.7 Å²	30.7	34%	0.336	15%	0.151	S	C	.	.	H	α-helix	trans	-60.8	-38.1	174.7	-67	178.3	-23	0	0	112.4	A38 V42 L526 L527 T534	A38-Q530 HydrophobicContact CB-CG 4.34Å; V42-Q530 HydrophobicContact CG2-CB 4.33Å; V42-Q530 HydrophobicContact CG2-CG 3.81Å; L526-Q530 VanDerWaalsContact CD2-CD 3.46Å; L526-Q530 HydrophobicContact CD2-CG 4.22Å; L526-Q530 WeakPolarHBondContact O-CG 3.42Å; L526-Q530 PolarHBondContact O-N 3.25Å; L526-Q530 VanDerWaalsContact O-N 3.09Å; L527-Q530 PolarHBondContact O-N 2.94Å; Q530-T534 WeakPolarHBondContact O-CB 3.19Å; Q530-T534 PolarHBondContact O-N 3.29Å; Q530-T534 PolarHBondContact O-OG1 3.11Å
531	R	98.5	Very high	95	Very high	73 Å²	73	33.4 Å²	33.4	28%	0.275	16%	0.16	S	C	.	.	H	α-helix	trans	-59.6	-51.4	176.7	-178.1	-169.6	69.8	-141.7	-3.4	111.5	F509 T514 L527 S528 G529 T534 R535	F509-R531 PolarHBondContact O-NH2 3.19Å; T514-R531 PolarHBondContact O-NH1 3.21Å; T514-R531 PolarHBondContact OG1-NH2 3.04Å; L527-R531 WeakPolarHBondContact O-CB 3.38Å; L527-R531 PolarHBondContact O-N 2.8Å; S528-R531 WeakPolarHBondContact O-CB 3.19Å; S528-R531 PolarHBondContact O-N 3.31Å; G529-R531 VanDerWaalsContact C-N 3.29Å; G529-R531 PolarHBondContact O-N 2.86Å; R531-T534 PolarHBondContact O-N 3.46Å; R531-R535 PolarHBondContact O-N 3.23Å
532	E	98.6	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.2	-32.6	-177.6	-61.9	-47.1	132.9	0	0	112.9	I322 L508 F509 A510 S528 G529 R535 L536	I322-E532 HydrophobicContact CD1-CB 4.47Å; I322-E532 HydrophobicContact CG2-CB 4.29Å; L508-E532 HydrophobicContact CB-CB 4.22Å; L508-E532 HydrophobicContact CB-CG 4.19Å; L508-E532 HydrophobicContact CD2-CB 4.19Å; L508-E532 WeakPolarHBondContact CD2-OE2 3.41Å; F509-E532 WeakPolarHBondContact O-CG 3.15Å; A510-E532 HydrophobicContact CB-CG 3.95Å; S528-E532 PolarHBondContact O-N 3.35Å; G529-E532 PolarHBondContact O-N 3.48Å; E532-R535 PolarHBondContact O-N 3.14Å; E532-R535 IonicContact OE1-CZ 2.8Å; E532-R535 IonicContact OE1-NE 2.83Å; E532-R535 IonicContact OE1-NH2 3.19Å; E532-R535 PolarHBondContact OE1-NH2 3.13Å; E532-R535 IonicContact OE2-CZ 2.63Å; E532-R535 IonicContact OE2-NE 3.91Å; E532-R535 PolarHBondContact OE2-NE 3.4Å; E532-R535 IonicContact OE2-NH2 2.76Å; E532-R535 PolarHBondContact OE2-NH2 3.04Å; E532-L536 PolarHBondContact O-N 3.21Å
533	A	98.1	Very high	90.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-46.1	170.5	0	0	0	0	0	112	A39 V42 L43 G529 R535 L536 M537	A39-A533 HydrophobicContact CB-CB 4.36Å; V42-A533 HydrophobicContact CB-CB 3.7Å; V42-A533 HydrophobicContact CG1-CB 3.58Å; L43-A533 HydrophobicContact CD2-CB 4.1Å; L43-A533 HydrophobicContact CG-CB 3.85Å; G529-A533 PolarHBondContact O-N 3.36Å; G529-A533 VanDerWaalsContact O-N 3.08Å; A533-R535 VanDerWaalsContact C-N 3.32Å; A533-R535 PolarHBondContact O-N 2.95Å; A533-L536 PolarHBondContact O-N 2.79Å; A533-M537 VanDerWaalsContact O-CG 3.31Å; A533-M537 WeakPolarHBondContact O-CG 3.35Å; A533-M537 PolarHBondContact O-N 2.99Å
534	T	97.3	Very high	88.3	Confident	58 Å²	58	51.6 Å²	51.6	36%	0.356	25%	0.245	S	C	.	.	H	α-helix	trans	-60	-41.9	176.2	-57.3	0	0	0	0	111.4	Q530 R531 L536 M537 E538	Q530-T534 WeakPolarHBondContact O-CB 3.19Å; Q530-T534 PolarHBondContact O-N 3.29Å; Q530-T534 PolarHBondContact O-OG1 3.11Å; R531-T534 PolarHBondContact O-N 3.46Å; T534-L536 VanDerWaalsContact C-N 3.3Å; T534-L536 PolarHBondContact O-N 3.26Å; T534-M537 WeakPolarHBondContact O-CA 3.27Å; T534-M537 WeakPolarHBondContact O-CB 3.46Å; T534-M537 PolarHBondContact O-N 3.32Å; T534-E538 WeakPolarHBondContact O-CG 3.39Å; T534-E538 PolarHBondContact O-N 3.22Å
535	R	95.4	Very high	85.2	Confident	72 Å²	72	59 Å²	59	27%	0.272	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-41	177.3	-162.7	-164.9	-57.9	-109.1	1.7	112.4	L505 L508 R531 E532 A533	L505-R535 HydrophobicContact CD1-CG 3.81Å; L505-R535 HydrophobicContact CD2-CG 4.4Å; L508-R535 HydrophobicContact CD2-CB 4.49Å; R531-R535 PolarHBondContact O-N 3.23Å; E532-R535 PolarHBondContact O-N 3.14Å; E532-R535 IonicContact OE1-CZ 2.8Å; E532-R535 IonicContact OE1-NE 2.83Å; E532-R535 IonicContact OE1-NH2 3.19Å; E532-R535 PolarHBondContact OE1-NH2 3.13Å; E532-R535 IonicContact OE2-CZ 2.63Å; E532-R535 IonicContact OE2-NE 3.91Å; E532-R535 PolarHBondContact OE2-NE 3.4Å; E532-R535 IonicContact OE2-NH2 2.76Å; E532-R535 PolarHBondContact OE2-NH2 3.04Å; A533-R535 VanDerWaalsContact C-N 3.32Å; A533-R535 PolarHBondContact O-N 2.95Å
536	L	94.6	Very high	84.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.5	-40.8	173.5	-71.4	-179.5	0	0	0	111.7	I27 L43 H320 I322 L505 L508 E532 A533 T534 E538 V539 Y540	I27-L536 HydrophobicContact CD1-CD1 3.89Å; I27-L536 HydrophobicContact CG1-CD1 4.33Å; I27-L536 HydrophobicContact CG2-CD1 4.19Å; L43-L536 HydrophobicContact CD2-CB 4.35Å; L43-L536 HydrophobicContact CD2-CD1 4.42Å; H320-L536 HydrophobicContact CB-CD1 4.03Å; H320-L536 HydrophobicContact CB-CD2 4.1Å; I322-L536 HydrophobicContact CD1-CD1 4.11Å; I322-L536 HydrophobicContact CG1-CD1 4.35Å; L505-L536 HydrophobicContact CB-CD2 4.17Å; L505-L536 HydrophobicContact CD1-CD2 4.2Å; L508-L536 HydrophobicContact CD1-CD1 4.27Å; L508-L536 HydrophobicContact CD1-CD2 3.98Å; L508-L536 HydrophobicContact CD1-CG 4.29Å; L508-L536 HydrophobicContact CD2-CD2 4.01Å; L508-L536 HydrophobicContact CD2-CG 3.91Å; E532-L536 PolarHBondContact O-N 3.21Å; A533-L536 PolarHBondContact O-N 2.79Å; T534-L536 VanDerWaalsContact C-N 3.3Å; T534-L536 PolarHBondContact O-N 3.26Å; L536-E538 VanDerWaalsContact C-N 3.31Å; L536-E538 PolarHBondContact O-N 3.16Å; L536-V539 PolarHBondContact O-N 2.93Å; L536-Y540 VanDerWaalsContact O-CD2 3.29Å; L536-Y540 WeakPolarHBondContact O-CD2 3.28Å; L536-Y540 PolarHBondContact O-N 3.48Å
537	M	92.8	Very high	83.8	Confident	29 Å²	29	64.4 Å²	64.4	14%	0.143	33%	0.331	C	S	.	.	H	α-helix	trans	-56.7	-44.7	177.4	-70	165.9	50	0	0	112.2	V42 N46 F48 A533 T534 V539 Y540 H541	V42-M537 HydrophobicContact CG1-SD 3.72Å; N46-M537 HydrophobicContact CB-CE 3.78Å; N46-M537 HydrophobicContact CB-CG 4.21Å; N46-M537 HydrophobicContact CB-SD 3.79Å; N46-M537 VanDerWaalsContact CG-SD 3.56Å; N46-M537 PolarHBondContact ND2-SD 3.02Å; N46-M537 WeakPolarHBondContact OD1-CE 3.48Å; F48-M537 HydrophobicContact CE2-CB 4.44Å; F48-M537 HydrophobicContact CE2-CG 3.68Å; F48-M537 HydrophobicContact CZ-CG 4.26Å; A533-M537 VanDerWaalsContact O-CG 3.31Å; A533-M537 WeakPolarHBondContact O-CG 3.35Å; A533-M537 PolarHBondContact O-N 2.99Å; T534-M537 WeakPolarHBondContact O-CA 3.27Å; T534-M537 WeakPolarHBondContact O-CB 3.46Å; T534-M537 PolarHBondContact O-N 3.32Å; M537-V539 VanDerWaalsContact C-N 3.33Å; M537-V539 PolarHBondContact O-N 2.95Å; M537-Y540 PolarHBondContact O-N 3.14Å; M537-Y540 VanDerWaalsContact O-N 3.16Å; M537-H541 WeakPolarHBondContact O-CB 3.43Å; M537-H541 PolarHBondContact O-N 3.35Å; M537-H541 PolarHBondContact O-ND1 3.31Å
538	E	90.9	Very high	83	Confident	113 Å²	113	65.3 Å²	65.3	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-56.4	-46.3	179.2	-71.8	170.2	174.1	0	0	111.4	T534 L536 Y540 H541 D542	T534-E538 WeakPolarHBondContact O-CG 3.39Å; T534-E538 PolarHBondContact O-N 3.22Å; L536-E538 VanDerWaalsContact C-N 3.31Å; L536-E538 PolarHBondContact O-N 3.16Å; E538-Y540 VanDerWaalsContact C-N 3.31Å; E538-Y540 PolarHBondContact O-N 3.37Å; E538-H541 PolarHBondContact O-N 3.08Å; E538-D542 WeakPolarHBondContact O-CB 3.41Å; E538-D542 PolarHBondContact O-N 3.25Å
539	V	86.9	Confident	82	Confident	44 Å²	44	69.2 Å²	69.2	27%	0.267	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-40.4	177.6	174.4	0	0	0	0	112.4	L505 L536 M537 H543	L505-V539 HydrophobicContact CD1-CG2 3.52Å; L505-V539 HydrophobicContact CG-CG2 4.49Å; L536-V539 PolarHBondContact O-N 2.93Å; M537-V539 VanDerWaalsContact C-N 3.33Å; M537-V539 PolarHBondContact O-N 2.95Å; V539-H543 PolarHBondContact O-CD2 3.1Å
540	Y	85.5	Confident	81	Confident	62 Å²	62	73.5 Å²	73.5	24%	0.243	38%	0.378	C	S	.	.	H	α-helix	trans	-89.4	-14.6	-177.2	-72	-79.6	0	0	0	114.6	P25 F48 H320 L536 M537 E538	P25-Y540 HydrophobicContact CB-CE1 3.83Å; P25-Y540 HydrophobicContact CB-CE2 3.91Å; P25-Y540 VanDerWaalsContact CB-CZ 3.42Å; P25-Y540 VanDerWaalsContact CB-OH 3.31Å; P25-Y540 WeakPolarHBondContact CB-OH 3.41Å; P25-Y540 HydrophobicContact CG-CD1 4.14Å; P25-Y540 HydrophobicContact CG-CD2 4.09Å; P25-Y540 HydrophobicContact CG-CE1 3.78Å; P25-Y540 HydrophobicContact CG-CE2 3.76Å; P25-Y540 HydrophobicContact CG-CG 4.3Å; F48-Y540 AromaticContact CE1-CD2 3.81Å; F48-Y540 HydrophobicContact CE1-CD2 3.81Å; F48-Y540 HydrophobicContact CE1-CE2 4.43Å; F48-Y540 HydrophobicContact CE1-CG 4.21Å; F48-Y540 HydrophobicContact CZ-CD2 4.04Å; F48-Y540 HydrophobicContact CZ-CG 4.3Å; H320-Y540 AromaticContact CD2-CE2 3.94Å; H320-Y540 AromaticContact NE2-CE2 3.29Å; H320-Y540 VanDerWaalsContact NE2-CE2 3.29Å; H320-Y540 WeakPolarHBondContact NE2-CE2 3.47Å; H320-Y540 AromaticContact NE2-CZ 3.4Å; H320-Y540 PolarHBondContact NE2-OH 3.28Å; L536-Y540 VanDerWaalsContact O-CD2 3.29Å; L536-Y540 WeakPolarHBondContact O-CD2 3.28Å; L536-Y540 PolarHBondContact O-N 3.48Å; M537-Y540 PolarHBondContact O-N 3.14Å; M537-Y540 VanDerWaalsContact O-N 3.16Å; E538-Y540 VanDerWaalsContact C-N 3.31Å; E538-Y540 PolarHBondContact O-N 3.37Å
541	H	74.8	Confident	79.8	Confident	88 Å²	88	73.6 Å²	73.6	41%	0.407	38%	0.381	S	S	.	.	H	α-helix	trans	-87.1	-37	174	-76.9	75.9	0	0	0	112	M537 E538 H543 K544	M537-H541 WeakPolarHBondContact O-CB 3.43Å; M537-H541 PolarHBondContact O-N 3.35Å; M537-H541 PolarHBondContact O-ND1 3.31Å; E538-H541 PolarHBondContact O-N 3.08Å; H541-H543 PolarHBondContact O-N 3.49Å; H541-K544 PolarHBondContact O-N 3.33Å
542	D	57.8	Low	78.5	Confident	124 Å²	124	73.6 Å²	73.6	66%	0.663	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.9	176.8	-75.3	-11.9	0	0	0	113.1	E538	E538-D542 WeakPolarHBondContact O-CB 3.41Å; E538-D542 PolarHBondContact O-N 3.25Å
543	H	50.4	Low	76.9	Confident	123 Å²	123	79.3 Å²	79.3	57%	0.569	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	1.2	174.3	-68.4	-40.4	0	0	0	114.7	V539 H541	V539-H543 PolarHBondContact O-CD2 3.1Å; H541-H543 PolarHBondContact O-N 3.49Å
544	K	42.5	Very low	75.2	Confident	163 Å²	163	85.9 Å²	85.9	71%	0.709	45%	0.453	S	S	*	.			trans	-102.6	-6.8	174.9	-74.2	-177.2	179.9	172.2	0	114.3	H541	H541-K544 PolarHBondContact O-N 3.33Å
545	A	33.3	Very low	73.2	Confident	155 Å²	155	88.5 Å²	88.5	100%	1.281	46%	0.462	S	S	*	.			trans	-92.4	0	-176.2	0	0	0	0	0	113.1

Retrieved 545 of 545 residues in 246.5 ms (Link to these results)

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