A0A087XMZ8_POEFO Loading...

Matrilin-1

A major component of the extracellular matrix of non-articular cartilage. Binds to type 2 collagens and forms long concatenated protein networks as part of the extracellular matrix. Required for the network-like organization and bundling of collagen fibrils surrounding chondrocytes in the zones of maturation and hypertrophy. Required for mechanotransduction and adaption to mechanical loading in cartilage chondrocytes, resulting in an increase in expression of the extracellular matrix components ACAN and COL2A1. Acts as a moderator of angiogenesis in response to injury.

AlphaFold DB , UniProt , Accession A0A087XMZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 479 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	35.1	Very low	40.6	Very low	246 Å²	246	129.7 Å²	129.7	100%	1.212	71%	0.713	S	S	*	*				0	93.8	0	-74.7	172.9	173.2	0	0	107.6
2	T	33.3	Very low	40	Very low	127 Å²	127	127.3 Å²	127.3	78%	0.779	70%	0.697	S	S	*	*			trans	-99	130.2	176.1	42.9	0	0	0	0	108.4	T4	T2-T4 PolarHBondContact O-N 2.71Å
3	P	41.3	Very low	40	Very low	126 Å²	126	123 Å²	123	82%	0.818	68%	0.682	S	S	*	*			trans	-80.3	120	178.3	31.6	-28.7	0	0	0	109.1	V5	P3-V5 PolarHBondContact O-N 2.72Å
4	T	43.3	Very low	39.6	Very low	130 Å²	130	121.2 Å²	121.2	80%	0.798	67%	0.67	S	S	*	*			trans	-77.3	114.2	166.8	46.6	0	0	0	0	108.6	T2	T2-T4 PolarHBondContact O-N 2.71Å
5	V	43.4	Very low	39.3	Very low	115 Å²	115	120.4 Å²	120.4	70%	0.697	66%	0.663	S	S	*	*			trans	-66.7	127.7	167	-179.6	0	0	0	0	107.8	P3 L7	P3-V5 PolarHBondContact O-N 2.72Å; V5-L7 PolarHBondContact O-N 2.71Å
6	P	46.3	Very low	38.9	Very low	76 Å²	76	115.1 Å²	115.1	49%	0.494	64%	0.644	S	S	.	*			trans	-73	126.2	-175.9	27.5	-30.5	0	0	0	110.1	F8 L9	P6-F8 PolarHBondContact O-N 3.15Å; P6-L9 HydrophobicContact CG-CD1 4.17Å; P6-L9 PolarHBondContact O-N 2.84Å; P6-L9 VanDerWaalsContact O-N 3.11Å
7	L	47.4	Very low	38.7	Very low	137 Å²	137	111.8 Å²	111.8	72%	0.717	64%	0.635	S	S	*	*	H	α-helix	trans	-47.7	-18.6	177.1	-159.9	70.9	0	0	0	114.1	V5	V5-L7 PolarHBondContact O-N 2.71Å
8	F	38.4	Very low	38.5	Very low	157 Å²	157	112.3 Å²	112.3	69%	0.689	63%	0.631	S	S	*	*	H	α-helix	trans	-69	-31.3	179.9	-148	-99.6	0	0	0	114.2	P6 L12	P6-F8 PolarHBondContact O-N 3.15Å; F8-L12 HydrophobicContact CD1-CD1 3.89Å; F8-L12 HydrophobicContact CE1-CD1 4.05Å; F8-L12 PolarHBondContact O-N 2.99Å
9	L	38.1	Very low	38.1	Very low	114 Å²	114	109.1 Å²	109.1	60%	0.597	62%	0.62	S	S	*	*	H	α-helix	trans	-75.8	-31.8	179.2	-83.6	160.9	0	0	0	112.7	P6 S13	P6-L9 HydrophobicContact CG-CD1 4.17Å; P6-L9 PolarHBondContact O-N 2.84Å; P6-L9 VanDerWaalsContact O-N 3.11Å; L9-S13 PolarHBondContact O-N 3.4Å
10	L	41	Very low	38.2	Very low	102 Å²	102	107.3 Å²	107.3	53%	0.534	61%	0.611	S	S	.	*	H	α-helix	trans	-66.2	-42.6	173.8	-103.7	124.7	0	0	0	111.4	L12 S13 L14	L10-L12 PolarHBondContact O-N 2.98Å; L10-S13 PolarHBondContact O-N 3.29Å; L10-S13 PolarHBondContact O-OG 2.99Å; L10-L14 WeakPolarHBondContact O-CD1 3.35Å; L10-L14 PolarHBondContact O-N 3.37Å; L10-L14 VanDerWaalsContact O-N 3.1Å
11	L	38.9	Very low	38.4	Very low	97 Å²	97	106.8 Å²	106.8	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-62.6	-40	177.2	-88.4	148.8	0	0	0	112.8	L14 I15	L11-L14 PolarHBondContact O-N 2.96Å; L11-I15 WeakPolarHBondContact O-CD1 3.39Å; L11-I15 WeakPolarHBondContact O-CG1 3.44Å; L11-I15 PolarHBondContact O-N 3.17Å
12	L	33.8	Very low	38.5	Very low	100 Å²	100	99 Å²	99	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-67.3	-34.6	176.3	-83.9	154.4	0	0	0	113	F8 L10 G16	F8-L12 HydrophobicContact CD1-CD1 3.89Å; F8-L12 HydrophobicContact CE1-CD1 4.05Å; F8-L12 PolarHBondContact O-N 2.99Å; L10-L12 PolarHBondContact O-N 2.98Å; L12-G16 PolarHBondContact O-N 3.07Å
13	S	39.2	Very low	38.7	Very low	72 Å²	72	100.2 Å²	100.2	50%	0.503	56%	0.562	S	S	.	*	H	α-helix	trans	-70.9	-36.8	175.9	70.2	0	0	0	0	113.2	L9 L10 A17	L9-S13 PolarHBondContact O-N 3.4Å; L10-S13 PolarHBondContact O-N 3.29Å; L10-S13 PolarHBondContact O-OG 2.99Å; S13-A17 WeakPolarHBondContact O-CB 3.09Å; S13-A17 PolarHBondContact O-N 3.13Å
14	L	35.2	Very low	39	Very low	98 Å²	98	103 Å²	103	51%	0.513	56%	0.556	S	S	.	*	H	α-helix	trans	-67.2	-42.9	174.5	-84.6	149.6	0	0	0	111.6	L10 L11 A17 Q18	L10-L14 WeakPolarHBondContact O-CD1 3.35Å; L10-L14 PolarHBondContact O-N 3.37Å; L10-L14 VanDerWaalsContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 2.96Å; L14-A17 PolarHBondContact O-N 2.8Å; L14-Q18 PolarHBondContact O-N 2.84Å
15	I	34.9	Very low	39	Very low	109 Å²	109	100 Å²	100	56%	0.559	53%	0.534	S	S	*	.	H	α-helix	trans	-68	-37.4	177.2	-63.4	163.2	0	0	0	111.1	L11 Q18 A19	L11-I15 WeakPolarHBondContact O-CD1 3.39Å; L11-I15 WeakPolarHBondContact O-CG1 3.44Å; L11-I15 PolarHBondContact O-N 3.17Å; I15-Q18 PolarHBondContact O-N 3.39Å; I15-A19 WeakPolarHBondContact O-CB 3.3Å; I15-A19 PolarHBondContact O-N 3.18Å
16	G	32.9	Very low	38.8	Very low	35 Å²	35	97.2 Å²	97.2	36%	0.361	52%	0.524	S	S	.	.	H	α-helix	trans	-68.4	-36.2	175.5	0	0	0	0	0	114.2	L12 T20	L12-G16 PolarHBondContact O-N 3.07Å; G16-T20 WeakPolarHBondContact O-CG2 3.31Å; G16-T20 PolarHBondContact O-N 2.8Å; G16-T20 VanDerWaalsContact O-N 3.17Å; G16-T20 PolarHBondContact O-OG1 2.79Å
17	A	35.7	Very low	38.4	Very low	59 Å²	59	96.5 Å²	96.5	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-68.6	-39.8	173.4	0	0	0	0	0	112	S13 L14 T20 F21	S13-A17 WeakPolarHBondContact O-CB 3.09Å; S13-A17 PolarHBondContact O-N 3.13Å; L14-A17 PolarHBondContact O-N 2.8Å; A17-T20 PolarHBondContact O-OG1 2.68Å; A17-F21 WeakPolarHBondContact O-CB 3.39Å; A17-F21 PolarHBondContact O-N 3.01Å
18	Q	35.5	Very low	38.1	Very low	122 Å²	122	91.3 Å²	91.3	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-64.2	-45	175.6	-134.6	102.9	13	0	0	112	L14 I15 F21 D22	L14-Q18 PolarHBondContact O-N 2.84Å; I15-Q18 PolarHBondContact O-N 3.39Å; Q18-F21 PolarHBondContact O-N 2.02Å; Q18-D22 PolarHBondContact O-N 3.36Å
19	A	30.9	Very low	38.2	Very low	50 Å²	50	89.2 Å²	89.2	41%	0.413	49%	0.494	S	S	.	.	H	α-helix	trans	-70.6	-34.6	-176.7	0	0	0	0	0	113.4	I15 Q23	I15-A19 WeakPolarHBondContact O-CB 3.3Å; I15-A19 PolarHBondContact O-N 3.18Å; A19-Q23 PolarHBondContact O-N 2.92Å
20	T	40.1	Very low	38.3	Very low	73 Å²	73	90 Å²	90	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-73.4	-28	175.5	50.6	0	0	0	0	112.5	G16 A17 R24	G16-T20 WeakPolarHBondContact O-CG2 3.31Å; G16-T20 PolarHBondContact O-N 2.8Å; G16-T20 VanDerWaalsContact O-N 3.17Å; G16-T20 PolarHBondContact O-OG1 2.79Å; A17-T20 PolarHBondContact O-OG1 2.68Å; T20-R24 WeakPolarHBondContact O-CD 3.37Å; T20-R24 WeakPolarHBondContact O-CG 3.35Å; T20-R24 PolarHBondContact O-N 3.24Å
21	F	40.8	Very low	38.2	Very low	98 Å²	98	88.5 Å²	88.5	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-72.9	-44.5	172.4	-170.7	-91.3	0	0	0	112.2	A17 Q18 Q23 R24 M25	A17-F21 WeakPolarHBondContact O-CB 3.39Å; A17-F21 PolarHBondContact O-N 3.01Å; Q18-F21 PolarHBondContact O-N 2.02Å; F21-Q23 PolarHBondContact O-N 3.29Å; F21-R24 PolarHBondContact O-N 3.44Å; F21-M25 HydrophobicContact CD1-CG 4.21Å; F21-M25 HydrophobicContact CE1-CG 3.94Å; F21-M25 HydrophobicContact CZ-CG 4.45Å; F21-M25 PolarHBondContact O-N 3.26Å
22	D	39.2	Very low	38.5	Very low	83 Å²	83	86.6 Å²	86.6	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-37.9	178.8	-81	-20.3	0	0	0	113.1	Q18 A26 K213	Q18-D22 PolarHBondContact O-N 3.36Å; D22-A26 PolarHBondContact O-N 3.02Å; D22-A26 VanDerWaalsContact O-N 3.1Å; D22-K213 IonicContact OD1-NZ 3.74Å; D22-K213 PolarHBondContact OD1-NZ 3.18Å
23	Q	37.4	Very low	38.9	Very low	151 Å²	151	87.4 Å²	87.4	71%	0.706	51%	0.514	S	S	*	.	H	α-helix	trans	-67.7	-33.9	175	-78.6	-178.4	-25.4	0	0	113.1	A19 F21 A27	A19-Q23 PolarHBondContact O-N 2.92Å; F21-Q23 PolarHBondContact O-N 3.29Å; Q23-A27 PolarHBondContact O-N 3.48Å; Q23-A27 VanDerWaalsContact O-N 3.16Å
24	R	46.9	Very low	39.4	Very low	184 Å²	184	86.1 Å²	86.1	69%	0.694	50%	0.504	S	S	*	.	H	α-helix	trans	-72.9	-36.3	178.1	-73.2	173.2	-176.6	-161.1	2	112.1	T20 F21 A27 A28	T20-R24 WeakPolarHBondContact O-CD 3.37Å; T20-R24 WeakPolarHBondContact O-CG 3.35Å; T20-R24 PolarHBondContact O-N 3.24Å; F21-R24 PolarHBondContact O-N 3.44Å; R24-A27 PolarHBondContact O-N 3.36Å; R24-A28 PolarHBondContact O-N 3.21Å
25	M	42.1	Very low	40.1	Very low	68 Å²	68	89.8 Å²	89.8	34%	0.335	52%	0.516	S	S	.	.	H	α-helix	trans	-67	-42.6	173.7	-75.3	-68	102.4	0	0	112.5	F21 A27 A28 M29	F21-M25 HydrophobicContact CD1-CG 4.21Å; F21-M25 HydrophobicContact CE1-CG 3.94Å; F21-M25 HydrophobicContact CZ-CG 4.45Å; F21-M25 PolarHBondContact O-N 3.26Å; M25-A27 VanDerWaalsContact C-N 3.29Å; M25-A27 PolarHBondContact O-N 3.37Å; M25-A28 PolarHBondContact O-N 2.91Å; M25-M29 WeakPolarHBondContact O-CG 3.31Å; M25-M29 PolarHBondContact O-N 3.11Å
26	A	40.1	Very low	41	Very low	57 Å²	57	86 Å²	86	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-60.3	-39.6	173.4	0	0	0	0	0	111.8	D22 M29 V30	D22-A26 PolarHBondContact O-N 3.02Å; D22-A26 VanDerWaalsContact O-N 3.1Å; A26-M29 PolarHBondContact O-N 2.96Å; A26-V30 VanDerWaalsContact O-CG2 3.26Å; A26-V30 WeakPolarHBondContact O-CG2 3.3Å; A26-V30 PolarHBondContact O-N 3.48Å; A26-V30 VanDerWaalsContact O-N 3.13Å
27	A	39.1	Very low	42.7	Very low	61 Å²	61	89.5 Å²	89.5	50%	0.504	50%	0.501	S	S	.	.	H	α-helix	trans	-67.1	-38	175.9	0	0	0	0	0	113.1	Q23 R24 M25 V30 A31	Q23-A27 PolarHBondContact O-N 3.48Å; Q23-A27 VanDerWaalsContact O-N 3.16Å; R24-A27 PolarHBondContact O-N 3.36Å; M25-A27 VanDerWaalsContact C-N 3.29Å; M25-A27 PolarHBondContact O-N 3.37Å; A27-V30 PolarHBondContact O-N 3.4Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.38Å
28	A	40.3	Very low	45.1	Very low	27 Å²	27	88.6 Å²	88.6	22%	0.223	49%	0.489	C	S	.	.	H	α-helix	trans	-67.4	-35.1	175.8	0	0	0	0	0	112.9	R24 M25	R24-A28 PolarHBondContact O-N 3.21Å; M25-A28 PolarHBondContact O-N 2.91Å
29	M	41.3	Very low	47.7	Very low	113 Å²	113	83.4 Å²	83.4	56%	0.557	47%	0.466	S	S	*	.	H	α-helix	trans	-68.5	-36.6	173.5	-71.1	-157.6	178.8	0	0	112.6	M25 A26	M25-M29 WeakPolarHBondContact O-CG 3.31Å; M25-M29 PolarHBondContact O-N 3.11Å; A26-M29 PolarHBondContact O-N 2.96Å
30	V	38.9	Very low	50.7	Low	132 Å²	132	81 Å²	81	80%	0.8	45%	0.446	S	S	*	.	H	α-helix	trans	-74.3	-28.1	178.1	174	0	0	0	0	112.1	A26 A27 G32	A26-V30 VanDerWaalsContact O-CG2 3.26Å; A26-V30 WeakPolarHBondContact O-CG2 3.3Å; A26-V30 PolarHBondContact O-N 3.48Å; A26-V30 VanDerWaalsContact O-N 3.13Å; A27-V30 PolarHBondContact O-N 3.4Å; V30-G32 PolarHBondContact O-N 3.39Å
31	A	39	Very low	53.3	Low	70 Å²	70	77.5 Å²	77.5	58%	0.579	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.1	-177.8	0	0	0	0	0	115.4	A27 L33	A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.38Å; A31-L33 VanDerWaalsContact C-N 3.35Å; A31-L33 HydrophobicContact CB-CD1 4.08Å; A31-L33 HydrophobicContact CB-CG 4.26Å; A31-L33 PolarHBondContact O-N 3.32Å
32	G	45.9	Very low	56.1	Low	56 Å²	56	72.9 Å²	72.9	58%	0.577	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	24.6	177.2	0	0	0	0	0	115.1	V30	V30-G32 PolarHBondContact O-N 3.39Å
33	L	42.5	Very low	58.9	Low	117 Å²	117	68.9 Å²	68.9	61%	0.613	38%	0.383	S	S	*	.			trans	-81.4	-16.6	-178.3	-70.4	164.4	0	0	0	114.1	A31 K35	A31-L33 VanDerWaalsContact C-N 3.35Å; A31-L33 HydrophobicContact CB-CD1 4.08Å; A31-L33 HydrophobicContact CB-CG 4.26Å; A31-L33 PolarHBondContact O-N 3.32Å; L33-K35 PolarHBondContact O-N 3.08Å; L33-K35 VanDerWaalsContact O-N 3.15Å
34	C	50	Low	61.7	Low	45 Å²	45	61.8 Å²	61.8	30%	0.304	35%	0.35	S	S	.	.			trans	-79	90.2	172.2	-66.6	0	0	0	0	110.6	T36 C220	C34-T36 PolarHBondContact O-N 2.9Å; C34-C220 HydrophobicContact CB-CB 4.12Å; C34-C220 WeakPolarHBondContact CB-SG 3.44Å; C34-C220 WeakPolarHBondContact SG-CB 3.23Å; C34-C220 CovalentContact SG-SG 2.04Å; C34-C220 PolarHBondContact SG-SG 3.33Å
35	K	48.9	Very low	64.1	Low	175 Å²	175	53.2 Å²	53.2	76%	0.761	32%	0.318	S	S	*	.			trans	-92.4	91.6	166.1	-74.9	-171.4	-177.4	177	0	109.9	L33 R37	L33-K35 PolarHBondContact O-N 3.08Å; L33-K35 VanDerWaalsContact O-N 3.15Å; K35-R37 PolarHBondContact O-N 3.12Å
36	T	54.1	Low	66.6	Low	30 Å²	30	50 Å²	50	18%	0.184	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67.9	124.2	176	58.2	0	0	0	0	110.5	C34 N71 F219	C34-T36 PolarHBondContact O-N 2.9Å; T36-N71 HydrophobicContact CG2-CB 4.47Å; T36-F219 WeakPolarHBondContact CG2-O 3.49Å
37	R	68.8	Low	69.2	Low	109 Å²	109	47.3 Å²	47.3	41%	0.411	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-58.5	137.3	160.8	-71.7	-170.7	-173.1	-171.5	3.7	107.1	K35 T39 P142	K35-R37 PolarHBondContact O-N 3.12Å; R37-T39 PolarHBondContact O-N 3.2Å; R37-T39 VanDerWaalsContact O-N 3.09Å; R37-T39 PolarHBondContact O-OG1 3.06Å; R37-P142 PolarHBondContact NH1-O 3.01Å
38	P	86.1	Confident	71.8	Confident	39 Å²	39	44.4 Å²	44.4	25%	0.253	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-64.1	124.7	-174.7	27.4	-34	0	0	0	108.8	N75 A76 R138 S145	P38-N75 WeakPolarHBondContact CB-O 3.26Å; P38-A76 CarbonylContact C-O 3.52Å; P38-A76 WeakPolarHBondContact CA-O 3.34Å; P38-A76 VanDerWaalsContact CB-O 3.29Å; P38-A76 WeakPolarHBondContact CB-O 3.44Å; P38-R138 VanDerWaalsContact CG-NH1 3.31Å; P38-R138 VanDerWaalsContact O-CZ 3.27Å; P38-R138 PolarHBondContact O-NH1 2.72Å; P38-R138 PolarHBondContact O-NH2 2.93Å; P38-S145 PolarHBondContact O-N 3.5Å
39	T	89.4	Confident	74.2	Confident	13 Å²	13	52.4 Å²	52.4	8%	0.08	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	-165.9	-64.1	0	0	0	0	112	R37 A76 T77 R78 R138 S145 V147 F219	R37-T39 PolarHBondContact O-N 3.2Å; R37-T39 VanDerWaalsContact O-N 3.09Å; R37-T39 PolarHBondContact O-OG1 3.06Å; T39-A76 PolarHBondContact N-O 3.25Å; T39-T77 CarbonylContact O-C 2.85Å; T39-T77 VanDerWaalsContact O-CA 3.26Å; T39-T77 WeakPolarHBondContact O-CA 3.5Å; T39-R78 PolarHBondContact O-N 3.21Å; T39-R138 PolarHBondContact O-NH2 3.42Å; T39-S145 CarbonylContact C-O 3.37Å; T39-S145 WeakPolarHBondContact CA-O 3.31Å; T39-V147 HydrophobicContact CG2-CB 4.48Å; T39-V147 HydrophobicContact CG2-CG2 4.02Å; T39-F219 HydrophobicContact CG2-CE1 4.46Å
40	D	94.7	Very high	76.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.6	169.1	-67.6	-14.9	0	0	0	107.4	M94 F131 A137 R138 S145 K146 V147	D40-M94 HydrophobicContact CB-CE 3.99Å; D40-M94 HydrophobicContact CB-SD 3.76Å; D40-F131 HydrophobicContact CB-CD1 4.45Å; D40-F131 HydrophobicContact CB-CE1 4.26Å; D40-F131 WeakPolarHBondContact O-CE1 3.38Å; D40-A137 WeakPolarHBondContact OD2-CA 2.97Å; D40-R138 VanDerWaalsContact N-NH2 3.14Å; D40-R138 IonicContact OD1-CZ 3.46Å; D40-R138 VanDerWaalsContact OD1-CZ 3.23Å; D40-R138 IonicContact OD1-NE 3.77Å; D40-R138 PolarHBondContact OD1-NE 2.95Å; D40-R138 IonicContact OD1-NH2 3.7Å; D40-R138 PolarHBondContact OD1-NH2 3.4Å; D40-R138 PolarHBondContact OD2-N 3.09Å; D40-R138 IonicContact OD2-NE 2.88Å; D40-S145 PolarHBondContact N-O 2.9Å; D40-K146 HydrophobicContact CB-CG 4.32Å; D40-K146 WeakPolarHBondContact O-CA 3.34Å; D40-K146 IonicContact OD2-NZ 3.6Å; D40-K146 PolarHBondContact OD2-NZ 2.71Å; D40-V147 PolarHBondContact O-N 2.96Å
41	L	94.9	Very high	79	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.9	-176.5	175.9	62	0	0	0	110.2	F43 L70 T77 R78 V79 G80 V147 I149 F219	L41-F43 HydrophobicContact CD2-CE2 3.77Å; L41-F43 HydrophobicContact CD2-CZ 3.86Å; L41-F43 HydrophobicContact CG-CE2 4.18Å; L41-F43 HydrophobicContact CG-CZ 4.5Å; L41-L70 HydrophobicContact CD2-CD1 3.52Å; L41-T77 HydrophobicContact CB-CG2 4.25Å; L41-R78 PolarHBondContact N-O 3.44Å; L41-V79 CarbonylContact O-C 3.59Å; L41-V79 VanDerWaalsContact O-CA 3.32Å; L41-V79 WeakPolarHBondContact O-CA 3.16Å; L41-G80 PolarHBondContact O-N 3.24Å; L41-V147 CarbonylContact C-O 3.55Å; L41-V147 WeakPolarHBondContact CA-O 2.97Å; L41-V147 HydrophobicContact CD1-CB 4.02Å; L41-V147 HydrophobicContact CD1-CG1 3.99Å; L41-V147 WeakPolarHBondContact CD1-O 3.46Å; L41-I149 HydrophobicContact CD1-CD1 3.89Å; L41-I149 HydrophobicContact CD1-CG1 3.97Å; L41-F219 HydrophobicContact CD1-CE1 4.22Å; L41-F219 HydrophobicContact CD1-CZ 3.75Å; L41-F219 HydrophobicContact CD2-CE2 4.37Å; L41-F219 HydrophobicContact CD2-CZ 4.24Å
42	V	97.9	Very high	81.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.9	171.9	-179.2	0	0	0	0	110.1	I44 G80 V82 M94 A130 F131 V147 A148 I149	V42-I44 HydrophobicContact CG1-CG1 4.03Å; V42-G80 WeakPolarHBondContact CA-O 3.44Å; V42-V82 HydrophobicContact CG1-CB 4.48Å; V42-V82 HydrophobicContact CG1-CG2 3.83Å; V42-M94 HydrophobicContact CG2-CE 3.19Å; V42-A130 HydrophobicContact CG1-CB 4.06Å; V42-A130 HydrophobicContact CG2-CB 4.03Å; V42-F131 HydrophobicContact CB-CE1 4.49Å; V42-F131 HydrophobicContact CB-CE2 3.8Å; V42-F131 HydrophobicContact CB-CZ 3.73Å; V42-F131 HydrophobicContact CG2-CD1 4.2Å; V42-F131 HydrophobicContact CG2-CD2 4.05Å; V42-F131 HydrophobicContact CG2-CE1 3.75Å; V42-F131 HydrophobicContact CG2-CE2 3.58Å; V42-F131 HydrophobicContact CG2-CG 4.34Å; V42-F131 HydrophobicContact CG2-CZ 3.43Å; V42-F131 VanDerWaalsContact CG2-CZ 3.43Å; V42-V147 PolarHBondContact N-O 3.29Å; V42-A148 CarbonylContact O-C 3.53Å; V42-A148 VanDerWaalsContact O-CA 3.31Å; V42-A148 WeakPolarHBondContact O-CA 3.1Å; V42-I149 PolarHBondContact O-N 3.08Å
43	F	97.9	Very high	83.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.8	164.6	-66.4	-83.4	0	0	0	109.5	L41 V45 L63 V66 I67 V79 G80 V81 V82 I149	L41-F43 HydrophobicContact CD2-CE2 3.77Å; L41-F43 HydrophobicContact CD2-CZ 3.86Å; L41-F43 HydrophobicContact CG-CE2 4.18Å; L41-F43 HydrophobicContact CG-CZ 4.5Å; F43-V45 HydrophobicContact CB-CG2 4.01Å; F43-L63 HydrophobicContact CB-CD1 4.49Å; F43-L63 HydrophobicContact CB-CD2 4.08Å; F43-L63 HydrophobicContact CB-CG 4.23Å; F43-L63 HydrophobicContact CD1-CD1 3.78Å; F43-L63 HydrophobicContact CD1-CG 3.84Å; F43-L63 HydrophobicContact CD2-CD2 4.47Å; F43-L63 HydrophobicContact CD2-CG 4.12Å; F43-L63 HydrophobicContact CE1-CD1 4.19Å; F43-L63 HydrophobicContact CE1-CG 4.17Å; F43-L63 HydrophobicContact CE2-CG 4.44Å; F43-L63 HydrophobicContact CG-CD1 4.17Å; F43-L63 HydrophobicContact CG-CD2 4.14Å; F43-L63 HydrophobicContact CG-CG 3.8Å; F43-L63 HydrophobicContact CZ-CG 4.46Å; F43-V66 HydrophobicContact CE1-CG1 4.37Å; F43-V66 HydrophobicContact CZ-CB 4.05Å; F43-V66 HydrophobicContact CZ-CG1 3.77Å; F43-I67 HydrophobicContact CE2-CD1 4.45Å; F43-I67 HydrophobicContact CE2-CG1 4.16Å; F43-V79 HydrophobicContact CD2-CG1 3.95Å; F43-V79 HydrophobicContact CE2-CG1 3.86Å; F43-G80 PolarHBondContact N-O 2.95Å; F43-V81 HydrophobicContact CB-CG1 4.4Å; F43-V81 HydrophobicContact CB-CG2 4.39Å; F43-V81 HydrophobicContact CD2-CG2 4.28Å; F43-V81 WeakPolarHBondContact O-CA 2.68Å; F43-V82 PolarHBondContact O-N 3.47Å; F43-I149 CarbonylContact C-O 3.49Å; F43-I149 WeakPolarHBondContact CA-O 3.47Å; F43-I149 HydrophobicContact CD1-CB 3.93Å; F43-I149 HydrophobicContact CD1-CD1 4.29Å; F43-I149 HydrophobicContact CD1-CG2 4.17Å; F43-I149 HydrophobicContact CE1-CB 4.18Å; F43-I149 HydrophobicContact CE1-CD1 3.68Å; F43-I149 HydrophobicContact CE1-CG1 4.48Å; F43-I149 HydrophobicContact CE1-CG2 4.34Å; F43-I149 HydrophobicContact CZ-CD1 4.25Å
44	I	98	Very high	85.8	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	101	174.5	-52.5	177.9	0	0	0	106.9	V42 V82 Y84 A122 A126 A148 I149 I150 V151	V42-I44 HydrophobicContact CG1-CG1 4.03Å; I44-V82 WeakPolarHBondContact CA-O 3.49Å; I44-Y84 HydrophobicContact CG2-CD1 3.74Å; I44-Y84 HydrophobicContact CG2-CE1 3.82Å; I44-A122 HydrophobicContact CG2-CB 3.65Å; I44-A126 HydrophobicContact CD1-CB 3.43Å; I44-A126 VanDerWaalsContact CD1-CB 3.43Å; I44-A126 HydrophobicContact CG1-CB 4.11Å; I44-A148 HydrophobicContact CD1-CB 4.25Å; I44-I149 PolarHBondContact N-O 3.1Å; I44-I150 HydrophobicContact CB-CG1 4.21Å; I44-I150 HydrophobicContact CD1-CG1 4.15Å; I44-I150 WeakPolarHBondContact O-CA 3.34Å; I44-V151 PolarHBondContact O-N 2.59Å
45	V	96.8	Very high	87.8	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.4	-166.1	-176.3	0	0	0	0	111	F43 F56 V59 L63 V81 V82 Y84	F43-V45 HydrophobicContact CB-CG2 4.01Å; V45-F56 HydrophobicContact CG1-CE2 3.79Å; V45-V59 HydrophobicContact CG1-CB 4.4Å; V45-V59 HydrophobicContact CG1-CG1 3.43Å; V45-V59 VanDerWaalsContact CG1-CG1 3.43Å; V45-V59 HydrophobicContact CG2-CG1 4.33Å; V45-L63 HydrophobicContact CG2-CD1 4.08Å; V45-L63 HydrophobicContact CG2-CD2 3.86Å; V45-V81 HydrophobicContact CG2-CG1 4.48Å; V45-V82 PolarHBondContact N-O 3.23Å; V45-Y84 VanDerWaalsContact C-CD1 3.43Å; V45-Y84 VanDerWaalsContact C-CE1 3.43Å; V45-Y84 WeakPolarHBondContact O-CD1 3.11Å; V45-Y84 PolarHBondContact O-N 3.41Å
46	D	94.9	Very high	89.8	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.5	172.1	-164.9	-18.5	0	0	0	110.9	S48 Y84 T117 V151 T152	D46-S48 WeakPolarHBondContact OD1-CA 3.48Å; D46-S48 WeakPolarHBondContact OD1-CB 3.32Å; D46-S48 PolarHBondContact OD1-N 3.18Å; D46-S48 PolarHBondContact OD1-OG 3.35Å; D46-Y84 HydrophobicContact CB-CE1 3.88Å; D46-Y84 HydrophobicContact CB-CE2 4.38Å; D46-Y84 VanDerWaalsContact N-CE1 3.3Å; D46-T117 WeakPolarHBondContact OD2-CG2 3.44Å; D46-V151 WeakPolarHBondContact CB-O 3.36Å; D46-V151 PolarHBondContact N-O 3.09Å; D46-T152 WeakPolarHBondContact OD2-CB 3.18Å; D46-T152 PolarHBondContact OD2-OG1 2.81Å
47	S	94.8	Very high	91.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.			trans	-127.2	29.6	169.2	67.6	0	0	0	0	111.8	F56 N83 Y84 L113 S114	S47-F56 VanDerWaalsContact CB-CE2 3.44Å; S47-N83 WeakPolarHBondContact CB-OD1 3.07Å; S47-N83 PolarHBondContact OG-OD1 3.09Å; S47-Y84 PolarHBondContact N-O 2.88Å; S47-Y84 PolarHBondContact OG-O 2.9Å; S47-L113 PolarHBondContact OG-N 3Å; S47-S114 WeakPolarHBondContact O-CA 3.17Å; S47-S114 PolarHBondContact O-N 2.73Å
48	S	93.3	Very high	92.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-61.3	169.3	174.4	65.4	0	0	0	0	111.8	D46 S50 V51 G116 T117	D46-S48 WeakPolarHBondContact OD1-CA 3.48Å; D46-S48 WeakPolarHBondContact OD1-CB 3.32Å; D46-S48 PolarHBondContact OD1-N 3.18Å; D46-S48 PolarHBondContact OD1-OG 3.35Å; S48-S50 PolarHBondContact O-N 3.36Å; S48-S50 VanDerWaalsContact O-N 3.14Å; S48-S50 PolarHBondContact OG-OG 3Å; S48-V51 WeakPolarHBondContact O-CB 3.41Å; S48-V51 PolarHBondContact O-N 3.37Å; S48-G116 WeakPolarHBondContact CB-O 3.34Å; S48-T117 WeakPolarHBondContact CB-OG1 3.47Å; S48-T117 PolarHBondContact OG-OG1 3.16Å; S48-T117 VanDerWaalsContact OG-OG1 3.1Å
49	R	90.8	Very high	93.1	Very high	195 Å²	195	39.6 Å²	39.6	74%	0.736	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.5	-175	-170.5	-175.8	-60.1	171.2	2.1	113.7	V51 T115	R49-V51 VanDerWaalsContact C-N 3.27Å; R49-T115 WeakPolarHBondContact CB-O 3.25Å; R49-T115 PolarHBondContact N-O 3.44Å
50	S	89.8	Confident	93.3	Very high	56 Å²	56	39.9 Å²	39.9	39%	0.392	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-32.8	175.7	40.6	0	0	0	0	112	S48 R52 D153	S48-S50 PolarHBondContact O-N 3.36Å; S48-S50 VanDerWaalsContact O-N 3.14Å; S48-S50 PolarHBondContact OG-OG 3Å; S50-R52 PolarHBondContact O-N 3.12Å; S50-D153 VanDerWaalsContact CB-OD2 3.24Å; S50-D153 WeakPolarHBondContact CB-OD2 3.32Å; S50-D153 PolarHBondContact OG-OD1 3.49Å; S50-D153 PolarHBondContact OG-OD2 3.07Å
51	V	90.6	Very high	93.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	21%	0.21	C	C	.	.	S	Bend	trans	-78.6	106.7	176.9	-168.5	0	0	0	0	109.6	S48 R49 E55 F56 D153 Y205	S48-V51 WeakPolarHBondContact O-CB 3.41Å; S48-V51 PolarHBondContact O-N 3.37Å; R49-V51 VanDerWaalsContact C-N 3.27Å; V51-E55 HydrophobicContact CG1-CB 4.06Å; V51-F56 HydrophobicContact CG1-CB 4.04Å; V51-F56 HydrophobicContact CG1-CD2 4.31Å; V51-D153 HydrophobicContact CG2-CB 4.5Å; V51-D153 VanDerWaalsContact CG2-CG 3.49Å; V51-D153 WeakPolarHBondContact CG2-OD1 3.34Å; V51-D153 WeakPolarHBondContact CG2-OD2 3.46Å; V51-D153 PolarHBondContact N-OD2 2.88Å; V51-Y205 HydrophobicContact CG1-CE2 4.31Å; V51-Y205 WeakPolarHBondContact CG2-OH 3.43Å
52	R	90.3	Very high	92.9	Very high	171 Å²	171	42.7 Å²	42.7	65%	0.645	21%	0.21	S	C	*	.			trans	-67.3	153.7	177.8	-62.1	176.4	179.7	-162.8	0.7	110.4	S50 S54 E55 F56	S50-R52 PolarHBondContact O-N 3.12Å; R52-S54 PolarHBondContact O-N 3.39Å; R52-S54 VanDerWaalsContact O-N 3.13Å; R52-E55 HydrophobicContact CB-CB 4.46Å; R52-E55 HydrophobicContact CB-CG 4.24Å; R52-E55 VanDerWaalsContact CB-OE2 3.29Å; R52-E55 WeakPolarHBondContact CB-OE2 3.04Å; R52-E55 WeakPolarHBondContact CG-OE2 3.42Å; R52-E55 PolarHBondContact N-OE2 3.2Å; R52-E55 WeakPolarHBondContact O-CA 3.37Å; R52-E55 WeakPolarHBondContact O-CB 3.07Å; R52-E55 PolarHBondContact O-N 3.49Å; R52-F56 PolarHBondContact O-N 3.3Å
53	P	89.9	Confident	92.7	Very high	88 Å²	88	42.8 Å²	42.8	57%	0.571	21%	0.211	S	C	*	.	H	α-helix	trans	-52	-40.4	177.9	-29.4	35.8	0	0	0	114	E55 F56 E57	P53-E55 VanDerWaalsContact C-N 3.33Å; P53-E55 PolarHBondContact O-N 3.14Å; P53-F56 PolarHBondContact O-N 3.14Å; P53-E57 PolarHBondContact O-N 3.32Å; P53-E57 VanDerWaalsContact O-N 3.07Å
54	S	90.2	Very high	92.4	Very high	76 Å²	76	44 Å²	44	53%	0.531	22%	0.218	S	C	.	.	H	α-helix	trans	-66.8	-31.3	176.5	56	0	0	0	0	114	R52 Q58	R52-S54 PolarHBondContact O-N 3.39Å; R52-S54 VanDerWaalsContact O-N 3.13Å; S54-Q58 PolarHBondContact O-N 2.94Å
55	E	90.9	Very high	91.8	Very high	55 Å²	55	46.2 Å²	46.2	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-75.2	-38.3	176.2	-70.5	167.6	158.2	0	0	110.2	V51 R52 P53 E57 Q58 V59 Y205	V51-E55 HydrophobicContact CG1-CB 4.06Å; R52-E55 HydrophobicContact CB-CB 4.46Å; R52-E55 HydrophobicContact CB-CG 4.24Å; R52-E55 VanDerWaalsContact CB-OE2 3.29Å; R52-E55 WeakPolarHBondContact CB-OE2 3.04Å; R52-E55 WeakPolarHBondContact CG-OE2 3.42Å; R52-E55 PolarHBondContact N-OE2 3.2Å; R52-E55 WeakPolarHBondContact O-CA 3.37Å; R52-E55 WeakPolarHBondContact O-CB 3.07Å; R52-E55 PolarHBondContact O-N 3.49Å; P53-E55 VanDerWaalsContact C-N 3.33Å; P53-E55 PolarHBondContact O-N 3.14Å; E55-E57 VanDerWaalsContact C-N 3.3Å; E55-E57 PolarHBondContact O-N 3.36Å; E55-Q58 WeakPolarHBondContact O-CA 3.42Å; E55-Q58 WeakPolarHBondContact O-CB 3.37Å; E55-Q58 PolarHBondContact O-N 3.39Å; E55-V59 PolarHBondContact O-N 3.12Å; E55-V59 VanDerWaalsContact O-N 3.1Å; E55-Y205 HydrophobicContact CB-CD2 3.51Å; E55-Y205 HydrophobicContact CB-CE2 3.89Å; E55-Y205 HydrophobicContact CB-CG 3.93Å; E55-Y205 HydrophobicContact CG-CD2 3.7Å; E55-Y205 HydrophobicContact CG-CE2 4.33Å; E55-Y205 HydrophobicContact CG-CG 4.32Å
56	F	92.9	Very high	91.3	Very high	4 Å²	4	46 Å²	46	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-35	173.9	-166	-104.4	0	0	0	112.5	V45 S47 V51 R52 P53 Q58 V59 K60 I110 P112	V45-F56 HydrophobicContact CG1-CE2 3.79Å; S47-F56 VanDerWaalsContact CB-CE2 3.44Å; V51-F56 HydrophobicContact CG1-CB 4.04Å; V51-F56 HydrophobicContact CG1-CD2 4.31Å; R52-F56 PolarHBondContact O-N 3.3Å; P53-F56 PolarHBondContact O-N 3.14Å; F56-Q58 VanDerWaalsContact C-N 3.29Å; F56-Q58 PolarHBondContact O-N 3.13Å; F56-V59 WeakPolarHBondContact O-CB 3.48Å; F56-V59 PolarHBondContact O-N 3.47Å; F56-K60 HydrophobicContact CD1-CD 4.44Å; F56-K60 HydrophobicContact CD1-CG 4.47Å; F56-K60 HydrophobicContact CE1-CD 4.18Å; F56-K60 HydrophobicContact CE1-CG 4.24Å; F56-K60 PolarHBondContact O-N 3.32Å; F56-I110 HydrophobicContact CE1-CB 4.42Å; F56-I110 HydrophobicContact CE1-CG2 3.88Å; F56-I110 HydrophobicContact CZ-CG2 3.74Å; F56-P112 HydrophobicContact CB-CB 4.45Å; F56-P112 HydrophobicContact CD1-CB 3.95Å; F56-P112 HydrophobicContact CD1-CG 4.21Å; F56-P112 HydrophobicContact CD2-CB 4.35Å; F56-P112 HydrophobicContact CE1-CB 4.27Å; F56-P112 HydrophobicContact CG-CB 3.98Å
57	E	93.1	Very high	91	Very high	97 Å²	97	46 Å²	46	45%	0.453	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-40.7	169.7	-69.5	-56.3	142.1	0	0	112	P53 E55 V59 K60 V61	P53-E57 PolarHBondContact O-N 3.32Å; P53-E57 VanDerWaalsContact O-N 3.07Å; E55-E57 VanDerWaalsContact C-N 3.3Å; E55-E57 PolarHBondContact O-N 3.36Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 2.92Å; E57-K60 WeakPolarHBondContact O-CB 3.49Å; E57-K60 PolarHBondContact O-N 3.18Å; E57-K60 VanDerWaalsContact O-N 3.15Å; E57-K60 WeakPolarHBondContact OE1-CE 3.36Å; E57-K60 IonicContact OE1-NZ 2.84Å; E57-K60 PolarHBondContact OE1-NZ 3.28Å; E57-K60 WeakPolarHBondContact OE2-CE 3.16Å; E57-K60 IonicContact OE2-NZ 2.57Å; E57-K60 PolarHBondContact OE2-NZ 2.79Å; E57-V61 WeakPolarHBondContact O-CG2 3.43Å; E57-V61 PolarHBondContact O-N 3.2Å
58	Q	91.3	Very high	90.6	Very high	65 Å²	65	49.7 Å²	49.7	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-65.7	-34.2	176.8	-66	174.9	3.1	0	0	111.8	S54 E55 F56 V61 F62 Y205	S54-Q58 PolarHBondContact O-N 2.94Å; E55-Q58 WeakPolarHBondContact O-CA 3.42Å; E55-Q58 WeakPolarHBondContact O-CB 3.37Å; E55-Q58 PolarHBondContact O-N 3.39Å; F56-Q58 VanDerWaalsContact C-N 3.29Å; F56-Q58 PolarHBondContact O-N 3.13Å; Q58-V61 PolarHBondContact O-N 2.91Å; Q58-F62 PolarHBondContact O-N 3.24Å; Q58-Y205 PolarHBondContact OE1-O 3.33Å
59	V	92.3	Very high	89.8	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-42.3	171.7	-175.9	0	0	0	0	111.6	V45 E55 F56 E57 V61 F62 L63 V151 Y205	V45-V59 HydrophobicContact CG1-CB 4.4Å; V45-V59 HydrophobicContact CG1-CG1 3.43Å; V45-V59 VanDerWaalsContact CG1-CG1 3.43Å; V45-V59 HydrophobicContact CG2-CG1 4.33Å; E55-V59 PolarHBondContact O-N 3.12Å; E55-V59 VanDerWaalsContact O-N 3.1Å; F56-V59 WeakPolarHBondContact O-CB 3.48Å; F56-V59 PolarHBondContact O-N 3.47Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 2.92Å; V59-V61 VanDerWaalsContact C-N 3.3Å; V59-V61 PolarHBondContact O-N 2.9Å; V59-F62 WeakPolarHBondContact O-CB 3.25Å; V59-F62 PolarHBondContact O-N 3.07Å; V59-L63 HydrophobicContact CG1-CD1 3.84Å; V59-L63 WeakPolarHBondContact O-CD1 3.41Å; V59-L63 PolarHBondContact O-N 3.45Å; V59-V151 HydrophobicContact CG1-CG1 4.46Å; V59-V151 HydrophobicContact CG2-CG1 4.49Å; V59-Y205 HydrophobicContact CG2-CD1 3.44Å; V59-Y205 VanDerWaalsContact CG2-CD1 3.44Å; V59-Y205 HydrophobicContact CG2-CE1 3.2Å
60	K	94.3	Very high	89.4	Confident	19 Å²	19	42.3 Å²	42.3	8%	0.083	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-38.1	175.7	-70	-170.8	-65.5	-178.4	0	112.3	F56 E57 T64 V107 S108 I110	F56-K60 HydrophobicContact CD1-CD 4.44Å; F56-K60 HydrophobicContact CD1-CG 4.47Å; F56-K60 HydrophobicContact CE1-CD 4.18Å; F56-K60 HydrophobicContact CE1-CG 4.24Å; F56-K60 PolarHBondContact O-N 3.32Å; E57-K60 WeakPolarHBondContact O-CB 3.49Å; E57-K60 PolarHBondContact O-N 3.18Å; E57-K60 VanDerWaalsContact O-N 3.15Å; E57-K60 WeakPolarHBondContact OE1-CE 3.36Å; E57-K60 IonicContact OE1-NZ 2.84Å; E57-K60 PolarHBondContact OE1-NZ 3.28Å; E57-K60 WeakPolarHBondContact OE2-CE 3.16Å; E57-K60 IonicContact OE2-NZ 2.57Å; E57-K60 PolarHBondContact OE2-NZ 2.79Å; K60-T64 WeakPolarHBondContact O-CB 3.34Å; K60-T64 PolarHBondContact O-N 3.26Å; K60-T64 PolarHBondContact O-OG1 2.95Å; K60-V107 HydrophobicContact CB-CG1 4.21Å; K60-V107 VanDerWaalsContact CD-O 3.26Å; K60-V107 WeakPolarHBondContact CD-O 3.28Å; K60-V107 HydrophobicContact CG-CG1 4.31Å; K60-S108 PolarHBondContact NZ-O 3.15Å; K60-I110 HydrophobicContact CD-CB 4.41Å; K60-I110 PolarHBondContact NZ-O 3.07Å
61	V	91	Very high	89.1	Confident	59 Å²	59	43.9 Å²	43.9	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-46	173.7	175.6	0	0	0	0	110.7	E57 Q58 V59 T64 N65 E209	E57-V61 WeakPolarHBondContact O-CG2 3.43Å; E57-V61 PolarHBondContact O-N 3.2Å; Q58-V61 PolarHBondContact O-N 2.91Å; V59-V61 VanDerWaalsContact C-N 3.3Å; V59-V61 PolarHBondContact O-N 2.9Å; V61-T64 WeakPolarHBondContact O-CB 3.35Å; V61-T64 PolarHBondContact O-N 3.49Å; V61-N65 VanDerWaalsContact O-CG 3.27Å; V61-N65 PolarHBondContact O-N 3.24Å; V61-N65 PolarHBondContact O-ND2 2.95Å; V61-E209 WeakPolarHBondContact CG1-OE1 3.34Å
62	F	90.2	Very high	89	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.4	-51.4	175.3	168.1	-109.8	0	0	0	113	Q58 V59 T64 N65 V66 V151 I177 I208 L211 F215	Q58-F62 PolarHBondContact O-N 3.24Å; V59-F62 WeakPolarHBondContact O-CB 3.25Å; V59-F62 PolarHBondContact O-N 3.07Å; F62-T64 VanDerWaalsContact C-N 3.26Å; F62-T64 PolarHBondContact O-N 2.74Å; F62-N65 PolarHBondContact O-N 3.38Å; F62-N65 VanDerWaalsContact O-N 3.14Å; F62-V66 HydrophobicContact CD2-CG2 4.13Å; F62-V66 HydrophobicContact CE2-CG2 3.67Å; F62-V66 HydrophobicContact CZ-CG2 3.89Å; F62-V66 WeakPolarHBondContact O-CG2 3.43Å; F62-V66 PolarHBondContact O-N 3.42Å; F62-V151 HydrophobicContact CE1-CG2 4.12Å; F62-I177 HydrophobicContact CE1-CD1 4.07Å; F62-I177 HydrophobicContact CZ-CD1 3.78Å; F62-I208 HydrophobicContact CB-CG2 3.8Å; F62-I208 HydrophobicContact CD1-CD1 4.08Å; F62-I208 HydrophobicContact CD1-CG1 4.44Å; F62-I208 HydrophobicContact CD2-CG1 4.29Å; F62-I208 HydrophobicContact CD2-CG2 4.41Å; F62-I208 WeakPolarHBondContact CD2-O 3.46Å; F62-I208 HydrophobicContact CE1-CD1 4.47Å; F62-I208 HydrophobicContact CG-CD1 4.25Å; F62-I208 HydrophobicContact CG-CG1 4.23Å; F62-I208 HydrophobicContact CG-CG2 4.14Å; F62-L211 HydrophobicContact CE2-CB 4.06Å; F62-F215 HydrophobicContact CE2-CD2 4.41Å; F62-F215 HydrophobicContact CZ-CD2 4.1Å; F62-F215 HydrophobicContact CZ-CE2 4.26Å
63	L	92.9	Very high	88.8	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-44.9	175.1	-95.9	59.4	0	0	0	111.1	F43 V45 V59 N65 V66 I67 V81 V107	F43-L63 HydrophobicContact CB-CD1 4.49Å; F43-L63 HydrophobicContact CB-CD2 4.08Å; F43-L63 HydrophobicContact CB-CG 4.23Å; F43-L63 HydrophobicContact CD1-CD1 3.78Å; F43-L63 HydrophobicContact CD1-CG 3.84Å; F43-L63 HydrophobicContact CD2-CD2 4.47Å; F43-L63 HydrophobicContact CD2-CG 4.12Å; F43-L63 HydrophobicContact CE1-CD1 4.19Å; F43-L63 HydrophobicContact CE1-CG 4.17Å; F43-L63 HydrophobicContact CE2-CG 4.44Å; F43-L63 HydrophobicContact CG-CD1 4.17Å; F43-L63 HydrophobicContact CG-CD2 4.14Å; F43-L63 HydrophobicContact CG-CG 3.8Å; F43-L63 HydrophobicContact CZ-CG 4.46Å; V45-L63 HydrophobicContact CG2-CD1 4.08Å; V45-L63 HydrophobicContact CG2-CD2 3.86Å; V59-L63 HydrophobicContact CG1-CD1 3.84Å; V59-L63 WeakPolarHBondContact O-CD1 3.41Å; V59-L63 PolarHBondContact O-N 3.45Å; L63-N65 PolarHBondContact O-N 3.14Å; L63-V66 PolarHBondContact O-N 3.4Å; L63-I67 WeakPolarHBondContact O-CB 3.4Å; L63-I67 WeakPolarHBondContact O-CD1 3.45Å; L63-I67 WeakPolarHBondContact O-CG1 3.14Å; L63-I67 PolarHBondContact O-N 2.88Å; L63-V81 HydrophobicContact CD2-CG1 3.95Å; L63-V81 HydrophobicContact CD2-CG2 4.28Å; L63-V107 HydrophobicContact CB-CG1 3.97Å; L63-V107 HydrophobicContact CD2-CG1 4.18Å
64	T	91.6	Very high	88.6	Confident	24 Å²	24	36 Å²	36	15%	0.147	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-45.2	178.1	-64.9	0	0	0	0	111.8	K60 V61 F62 I67 N68 V104	K60-T64 WeakPolarHBondContact O-CB 3.34Å; K60-T64 PolarHBondContact O-N 3.26Å; K60-T64 PolarHBondContact O-OG1 2.95Å; V61-T64 WeakPolarHBondContact O-CB 3.35Å; V61-T64 PolarHBondContact O-N 3.49Å; F62-T64 VanDerWaalsContact C-N 3.26Å; F62-T64 PolarHBondContact O-N 2.74Å; T64-I67 PolarHBondContact O-N 3.2Å; T64-N68 WeakPolarHBondContact O-CB 3.33Å; T64-N68 VanDerWaalsContact O-CG 3.24Å; T64-N68 PolarHBondContact O-N 3.43Å; T64-N68 PolarHBondContact O-ND2 3Å; T64-V104 HydrophobicContact CG2-CB 4.35Å; T64-V104 HydrophobicContact CG2-CG1 3.52Å; T64-V104 HydrophobicContact CG2-CG2 3.9Å
65	N	85.8	Confident	88.3	Confident	49 Å²	49	39.1 Å²	39.1	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-67	-40.1	-179.3	-70.1	-17.7	0	0	0	112.1	V61 F62 L63 N68 G69 T212 Q216	V61-N65 VanDerWaalsContact O-CG 3.27Å; V61-N65 PolarHBondContact O-N 3.24Å; V61-N65 PolarHBondContact O-ND2 2.95Å; F62-N65 PolarHBondContact O-N 3.38Å; F62-N65 VanDerWaalsContact O-N 3.14Å; L63-N65 PolarHBondContact O-N 3.14Å; N65-N68 PolarHBondContact O-N 3.36Å; N65-G69 PolarHBondContact O-N 3.35Å; N65-T212 HydrophobicContact CB-CG2 3.65Å; N65-Q216 PolarHBondContact O-NE2 3Å
66	V	86.1	Confident	88	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-51.6	173.4	178	0	0	0	0	109.7	F43 F62 L63 N68 G69 L70 T212 F215	F43-V66 HydrophobicContact CE1-CG1 4.37Å; F43-V66 HydrophobicContact CZ-CB 4.05Å; F43-V66 HydrophobicContact CZ-CG1 3.77Å; F62-V66 HydrophobicContact CD2-CG2 4.13Å; F62-V66 HydrophobicContact CE2-CG2 3.67Å; F62-V66 HydrophobicContact CZ-CG2 3.89Å; F62-V66 WeakPolarHBondContact O-CG2 3.43Å; F62-V66 PolarHBondContact O-N 3.42Å; L63-V66 PolarHBondContact O-N 3.4Å; V66-N68 VanDerWaalsContact C-N 3.26Å; V66-N68 PolarHBondContact O-N 3.4Å; V66-G69 WeakPolarHBondContact O-CA 3.25Å; V66-G69 PolarHBondContact O-N 3.26Å; V66-L70 HydrophobicContact CG1-CD1 4.36Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 WeakPolarHBondContact O-CG 3.45Å; V66-L70 PolarHBondContact O-N 2.99Å; V66-T212 HydrophobicContact CG2-CG2 4.24Å; V66-F215 HydrophobicContact CG1-CB 4.28Å; V66-F215 HydrophobicContact CG2-CB 4.37Å
67	I	89.3	Confident	87.8	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.6	-40.2	179	-70.7	165	0	0	0	112.1	F43 L63 T64 G69 L70 V72 V79 L103 V104 V107	F43-I67 HydrophobicContact CE2-CD1 4.45Å; F43-I67 HydrophobicContact CE2-CG1 4.16Å; L63-I67 WeakPolarHBondContact O-CB 3.4Å; L63-I67 WeakPolarHBondContact O-CD1 3.45Å; L63-I67 WeakPolarHBondContact O-CG1 3.14Å; L63-I67 PolarHBondContact O-N 2.88Å; T64-I67 PolarHBondContact O-N 3.2Å; I67-G69 PolarHBondContact O-N 3.32Å; I67-L70 PolarHBondContact O-N 3.42Å; I67-V72 HydrophobicContact CG2-CG2 4.35Å; I67-V79 HydrophobicContact CD1-CG1 4.26Å; I67-V79 HydrophobicContact CG1-CG1 4.27Å; I67-L103 HydrophobicContact CG2-CB 4.16Å; I67-L103 HydrophobicContact CG2-CD1 4.22Å; I67-V104 HydrophobicContact CG2-CG2 4.01Å; I67-V107 HydrophobicContact CD1-CG2 3.94Å
68	N	85.4	Confident	87.9	Confident	79 Å²	79	34.4 Å²	34.4	42%	0.422	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-30.2	178	-78.4	-29.2	0	0	0	112.8	T64 N65 V66 K100	T64-N68 WeakPolarHBondContact O-CB 3.33Å; T64-N68 VanDerWaalsContact O-CG 3.24Å; T64-N68 PolarHBondContact O-N 3.43Å; T64-N68 PolarHBondContact O-ND2 3Å; N65-N68 PolarHBondContact O-N 3.36Å; V66-N68 VanDerWaalsContact C-N 3.26Å; V66-N68 PolarHBondContact O-N 3.4Å; N68-K100 PolarHBondContact O-NZ 3.03Å
69	G	78.3	Confident	88.1	Confident	33 Å²	33	31.4 Å²	31.4	34%	0.34	18%	0.183	S	C	.	.	H	α-helix	trans	-80.5	-19.3	175.4	0	0	0	0	0	115	N65 V66 I67	N65-G69 PolarHBondContact O-N 3.35Å; V66-G69 WeakPolarHBondContact O-CA 3.25Å; V66-G69 PolarHBondContact O-N 3.26Å; I67-G69 PolarHBondContact O-N 3.32Å
70	L	82.1	Confident	88.3	Confident	6 Å²	6	31.4 Å²	31.4	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	-77.5	156.2	-176.9	-63.1	173.6	0	0	0	112.9	L41 V66 I67 V72 T77 V79 K100 F219	L41-L70 HydrophobicContact CD2-CD1 3.52Å; V66-L70 HydrophobicContact CG1-CD1 4.36Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 WeakPolarHBondContact O-CG 3.45Å; V66-L70 PolarHBondContact O-N 2.99Å; I67-L70 PolarHBondContact O-N 3.42Å; L70-V72 HydrophobicContact CB-CG2 4.14Å; L70-V72 PolarHBondContact O-N 3.29Å; L70-T77 HydrophobicContact CD1-CG2 4.12Å; L70-V79 HydrophobicContact CD1-CG2 4.17Å; L70-K100 WeakPolarHBondContact O-CE 3.19Å; L70-K100 PolarHBondContact O-NZ 3.24Å; L70-F219 HydrophobicContact CD2-CB 3.47Å; L70-F219 VanDerWaalsContact CD2-CB 3.47Å; L70-F219 HydrophobicContact CD2-CD1 4.49Å; L70-F219 HydrophobicContact CD2-CD2 3.66Å; L70-F219 HydrophobicContact CD2-CG 3.63Å
71	N	83.3	Confident	88.5	Confident	90 Å²	90	30.6 Å²	30.6	48%	0.481	18%	0.18	S	C	.	.			trans	-86.1	88.4	163.3	-174.8	17.6	0	0	0	109.9	T36 A76 T77	T36-N71 HydrophobicContact CG2-CB 4.47Å; N71-A76 HydrophobicContact CB-CB 4.45Å; N71-A76 WeakPolarHBondContact O-CB 3.25Å; N71-T77 VanDerWaalsContact O-CB 3.26Å; N71-T77 WeakPolarHBondContact O-CB 3.44Å; N71-T77 PolarHBondContact O-N 3.44Å; N71-T77 PolarHBondContact O-OG1 3.06Å
72	V	87.4	Confident	88.9	Confident	20 Å²	20	27.8 Å²	27.8	12%	0.121	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-79.9	126.9	-178	176.2	0	0	0	0	110.9	I67 L70 T77 V79 K100 L103	I67-V72 HydrophobicContact CG2-CG2 4.35Å; L70-V72 HydrophobicContact CB-CG2 4.14Å; L70-V72 PolarHBondContact O-N 3.29Å; V72-T77 WeakPolarHBondContact CA-O 3.42Å; V72-V79 HydrophobicContact CG2-CG2 4.43Å; V72-K100 HydrophobicContact CB-CG 3.9Å; V72-K100 HydrophobicContact CG2-CG 3.82Å; V72-L103 HydrophobicContact CB-CD1 4.44Å; V72-L103 HydrophobicContact CG1-CD1 3.55Å; V72-L103 HydrophobicContact CG2-CD1 4.03Å
73	G	86.7	Confident	89.2	Confident	10 Å²	10	27.8 Å²	27.8	10%	0.103	16%	0.163	C	C	.	.	S	Bend	trans	178.8	166.3	174.9	0	0	0	0	0	113.1	N75 A76 T77	G73-N75 PolarHBondContact O-N 3.47Å; G73-A76 CarbonylContact O-C 3.51Å; G73-A76 PolarHBondContact O-N 2.79Å; G73-A76 VanDerWaalsContact O-N 3.13Å; G73-T77 PolarHBondContact N-O 3.28Å; G73-T77 CarbonylContact O-C 3.44Å
74	P	85.3	Confident	89.4	Confident	64 Å²	64	27.7 Å²	27.7	42%	0.416	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.2	-176.8	25.6	-34.4	0	0	0	113.5	R78	P74-R78 PolarHBondContact O-NE 3.44Å; P74-R78 PolarHBondContact O-NH2 3.45Å
75	N	83.8	Confident	89.5	Confident	143 Å²	143	26.5 Å²	26.5	77%	0.765	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.2	14	177.9	-61	-20.8	0	0	0	112.3	P38 G73	P38-N75 WeakPolarHBondContact CB-O 3.26Å; G73-N75 PolarHBondContact O-N 3.47Å
76	A	85.5	Confident	89.8	Confident	11 Å²	11	27 Å²	27	9%	0.091	16%	0.163	C	C	.	.	S	Bend	trans	-129.6	-119.7	178.7	0	0	0	0	0	107.9	P38 T39 N71 G73	P38-A76 CarbonylContact C-O 3.52Å; P38-A76 WeakPolarHBondContact CA-O 3.34Å; P38-A76 VanDerWaalsContact CB-O 3.29Å; P38-A76 WeakPolarHBondContact CB-O 3.44Å; T39-A76 PolarHBondContact N-O 3.25Å; N71-A76 HydrophobicContact CB-CB 4.45Å; N71-A76 WeakPolarHBondContact O-CB 3.25Å; G73-A76 CarbonylContact O-C 3.51Å; G73-A76 PolarHBondContact O-N 2.79Å; G73-A76 VanDerWaalsContact O-N 3.13Å
77	T	89.1	Confident	90.2	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-91.9	127.3	177.9	-50.7	0	0	0	0	111.9	T39 L41 L70 N71 V72 G73 V79	T39-T77 CarbonylContact O-C 2.85Å; T39-T77 VanDerWaalsContact O-CA 3.26Å; T39-T77 WeakPolarHBondContact O-CA 3.5Å; L41-T77 HydrophobicContact CB-CG2 4.25Å; L70-T77 HydrophobicContact CD1-CG2 4.12Å; N71-T77 VanDerWaalsContact O-CB 3.26Å; N71-T77 WeakPolarHBondContact O-CB 3.44Å; N71-T77 PolarHBondContact O-N 3.44Å; N71-T77 PolarHBondContact O-OG1 3.06Å; V72-T77 WeakPolarHBondContact CA-O 3.42Å; G73-T77 PolarHBondContact N-O 3.28Å; G73-T77 CarbonylContact O-C 3.44Å; T77-V79 HydrophobicContact CG2-CG2 4.08Å
78	R	93.9	Very high	90.5	Very high	43 Å²	43	38.7 Å²	38.7	16%	0.162	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.6	168.8	-59.6	179.4	-177.8	-177.1	5.5	108.5	T39 L41 P74 M94 G136	T39-R78 PolarHBondContact O-N 3.21Å; L41-R78 PolarHBondContact N-O 3.44Å; P74-R78 PolarHBondContact O-NE 3.44Å; P74-R78 PolarHBondContact O-NH2 3.45Å; R78-M94 HydrophobicContact CB-CB 4.07Å; R78-M94 HydrophobicContact CB-CG 4.2Å; R78-M94 HydrophobicContact CB-SD 4.13Å; R78-G136 WeakPolarHBondContact CD-O 3.29Å; R78-G136 PolarHBondContact NH1-O 3.23Å
79	V	95.5	Very high	91.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.3	-173.6	-176.2	0	0	0	0	110	L41 F43 I67 L70 V72 T77 L103	L41-V79 CarbonylContact O-C 3.59Å; L41-V79 VanDerWaalsContact O-CA 3.32Å; L41-V79 WeakPolarHBondContact O-CA 3.16Å; F43-V79 HydrophobicContact CD2-CG1 3.95Å; F43-V79 HydrophobicContact CE2-CG1 3.86Å; I67-V79 HydrophobicContact CD1-CG1 4.26Å; I67-V79 HydrophobicContact CG1-CG1 4.27Å; L70-V79 HydrophobicContact CD1-CG2 4.17Å; V72-V79 HydrophobicContact CG2-CG2 4.43Å; T77-V79 HydrophobicContact CG2-CG2 4.08Å; V79-L103 HydrophobicContact CB-CD1 3.86Å; V79-L103 HydrophobicContact CB-CD2 4.14Å; V79-L103 HydrophobicContact CG2-CD1 4Å
80	G	97.4	Very high	92	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	157.2	167.5	0	0	0	0	0	111.5	L41 V42 F43 V92	L41-G80 PolarHBondContact O-N 3.24Å; V42-G80 WeakPolarHBondContact CA-O 3.44Å; F43-G80 PolarHBondContact N-O 2.95Å; G80-V92 CarbonylContact C-O 3.58Å; G80-V92 WeakPolarHBondContact CA-O 3.41Å
81	V	98.3	Very high	92.7	Very high	2 Å²	2	42 Å²	42	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.5	177	-174.9	0	0	0	0	109.2	F43 V45 L63 E91 V92 V107 I110	F43-V81 HydrophobicContact CB-CG1 4.4Å; F43-V81 HydrophobicContact CB-CG2 4.39Å; F43-V81 HydrophobicContact CD2-CG2 4.28Å; F43-V81 WeakPolarHBondContact O-CA 2.68Å; V45-V81 HydrophobicContact CG2-CG1 4.48Å; L63-V81 HydrophobicContact CD2-CG1 3.95Å; L63-V81 HydrophobicContact CD2-CG2 4.28Å; V81-E91 PolarHBondContact O-N 3.46Å; V81-V92 HydrophobicContact CB-CB 3.87Å; V81-V92 HydrophobicContact CB-CG2 4.09Å; V81-V92 HydrophobicContact CG2-CB 3.98Å; V81-V92 HydrophobicContact CG2-CG2 4.13Å; V81-V92 PolarHBondContact N-O 3.43Å; V81-V92 PolarHBondContact O-N 2.91Å; V81-V107 HydrophobicContact CG2-CG2 4.07Å; V81-I110 HydrophobicContact CB-CD1 4.28Å; V81-I110 HydrophobicContact CG1-CD1 3.66Å
82	V	98.4	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.3	174.1	176.6	0	0	0	0	107.6	V42 F43 I44 V45 V88 K89 F125 A130	V42-V82 HydrophobicContact CG1-CB 4.48Å; V42-V82 HydrophobicContact CG1-CG2 3.83Å; F43-V82 PolarHBondContact O-N 3.47Å; I44-V82 WeakPolarHBondContact CA-O 3.49Å; V45-V82 PolarHBondContact N-O 3.23Å; V82-V88 HydrophobicContact CG1-CG1 3.29Å; V82-K89 WeakPolarHBondContact CA-O 3.24Å; V82-F125 HydrophobicContact CG1-CD1 4.07Å; V82-F125 HydrophobicContact CG2-CD1 4.17Å; V82-F125 HydrophobicContact CG2-CE1 4.29Å; V82-A130 HydrophobicContact CG2-CB 3.82Å
83	N	97.5	Very high	93.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.1	176.2	179.3	21.9	0	0	0	108.6	S47 K89 E91 I110 E111	S47-N83 WeakPolarHBondContact CB-OD1 3.07Å; S47-N83 PolarHBondContact OG-OD1 3.09Å; N83-K89 PolarHBondContact N-O 2.79Å; N83-K89 PolarHBondContact O-N 3.42Å; N83-E91 HydrophobicContact CB-CG 3.4Å; N83-E91 PolarHBondContact ND2-OE1 2.92Å; N83-E91 VanDerWaalsContact ND2-OE1 3.13Å; N83-I110 HydrophobicContact CB-CG2 4.25Å; N83-E111 PolarHBondContact ND2-O 2.92Å
84	Y	96.5	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.9	-176	80.1	-85.6	0	0	0	114.1	I44 V45 D46 S47 R87 T117 T119 A122	I44-Y84 HydrophobicContact CG2-CD1 3.74Å; I44-Y84 HydrophobicContact CG2-CE1 3.82Å; V45-Y84 VanDerWaalsContact C-CD1 3.43Å; V45-Y84 VanDerWaalsContact C-CE1 3.43Å; V45-Y84 WeakPolarHBondContact O-CD1 3.11Å; V45-Y84 PolarHBondContact O-N 3.41Å; D46-Y84 HydrophobicContact CB-CE1 3.88Å; D46-Y84 HydrophobicContact CB-CE2 4.38Å; D46-Y84 VanDerWaalsContact N-CE1 3.3Å; S47-Y84 PolarHBondContact N-O 2.88Å; S47-Y84 PolarHBondContact OG-O 2.9Å; Y84-R87 WeakPolarHBondContact CA-O 3.41Å; Y84-T117 HydrophobicContact CE2-CG2 4.26Å; Y84-T119 VanDerWaalsContact CE2-CA 3.5Å; Y84-T119 HydrophobicContact CE2-CG2 4.41Å; Y84-T119 WeakPolarHBondContact CE2-OG1 2.96Å; Y84-T119 WeakPolarHBondContact OH-CG2 3.5Å; Y84-T119 PolarHBondContact OH-OG1 2.87Å; Y84-A122 HydrophobicContact CD1-CB 3.57Å; Y84-A122 HydrophobicContact CD2-CB 3.8Å; Y84-A122 HydrophobicContact CE1-CB 4.13Å; Y84-A122 HydrophobicContact CE2-CB 4.34Å; Y84-A122 HydrophobicContact CG-CB 3.38Å
85	A	94.2	Very high	94.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-148.4	-118.3	166.9	0	0	0	0	0	107.6	R87 L113 T115 G116 M118	A85-R87 PolarHBondContact N-O 3.49Å; A85-R87 PolarHBondContact O-N 3.44Å; A85-L113 HydrophobicContact CB-CB 3.6Å; A85-L113 HydrophobicContact CB-CD1 4.25Å; A85-T115 WeakPolarHBondContact CB-OG1 3.26Å; A85-G116 CarbonylContact C-O 3.58Å; A85-G116 WeakPolarHBondContact CA-O 3.3Å; A85-G116 VanDerWaalsContact CB-O 3.24Å; A85-G116 WeakPolarHBondContact CB-O 3.41Å; A85-M118 WeakPolarHBondContact O-CB 3.35Å; A85-M118 PolarHBondContact O-N 2.86Å
86	S	92.7	Very high	94.4	Very high	60 Å²	60	35.1 Å²	35.1	42%	0.42	17%	0.17	S	C	.	.	S	Bend	trans	-70.6	-18.2	166.3	-69.2	0	0	0	0	113	T115 G116	S86-T115 WeakPolarHBondContact CB-OG1 3.4Å; S86-T115 PolarHBondContact N-OG1 3Å; S86-G116 PolarHBondContact N-O 3.21Å; S86-G116 VanDerWaalsContact N-O 3.09Å; S86-G116 VanDerWaalsContact OG-CA 3.29Å; S86-G116 WeakPolarHBondContact OG-CA 3.31Å; S86-G116 PolarHBondContact OG-N 2.98Å
87	R	93.6	Very high	94.5	Very high	207 Å²	207	37.3 Å²	37.3	78%	0.781	18%	0.178	S	C	*	.	S	Bend	trans	-124.7	156.1	175.6	-62.3	-176.6	-179	-141.3	0.2	108.5	Y84 A85 L113	Y84-R87 WeakPolarHBondContact CA-O 3.41Å; A85-R87 PolarHBondContact N-O 3.49Å; A85-R87 PolarHBondContact O-N 3.44Å; R87-L113 VanDerWaalsContact O-CD1 3.31Å; R87-L113 WeakPolarHBondContact O-CD1 3.49Å
88	V	96.8	Very high	94.1	Very high	37 Å²	37	41.7 Å²	41.7	22%	0.224	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.5	177.2	-171.5	0	0	0	0	108.9	V82 A122 F125	V82-V88 HydrophobicContact CG1-CG1 3.29Å; V88-A122 HydrophobicContact CG2-CB 4.2Å; V88-F125 HydrophobicContact CB-CB 4.22Å; V88-F125 HydrophobicContact CB-CD2 4.33Å; V88-F125 HydrophobicContact CB-CG 4.14Å; V88-F125 HydrophobicContact CG1-CB 3.68Å; V88-F125 HydrophobicContact CG1-CD1 3.62Å; V88-F125 HydrophobicContact CG1-CD2 4.14Å; V88-F125 HydrophobicContact CG1-CE1 4.31Å; V88-F125 HydrophobicContact CG1-CG 3.52Å; V88-F125 HydrophobicContact CG2-CB 4.42Å
89	K	97.2	Very high	93.8	Very high	100 Å²	100	43.3 Å²	43.3	44%	0.435	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.3	-179.9	-174.3	167.3	167.7	-127	0	110.2	V82 N83 E91	V82-K89 WeakPolarHBondContact CA-O 3.24Å; N83-K89 PolarHBondContact N-O 2.79Å; N83-K89 PolarHBondContact O-N 3.42Å; K89-E91 WeakPolarHBondContact CD-OE1 3.06Å; K89-E91 WeakPolarHBondContact CE-OE1 3.22Å; K89-E91 VanDerWaalsContact CE-OE2 3.29Å; K89-E91 WeakPolarHBondContact CE-OE2 3.41Å; K89-E91 HydrophobicContact CG-CG 4.46Å; K89-E91 IonicContact NZ-OE1 2.8Å; K89-E91 PolarHBondContact NZ-OE1 3.21Å; K89-E91 IonicContact NZ-OE2 2.68Å; K89-E91 PolarHBondContact NZ-OE2 2.98Å; K89-E91 PolarHBondContact O-N 3.07Å
90	N	96.6	Very high	93.5	Very high	43 Å²	43	46.9 Å²	46.9	23%	0.23	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	92	173	-167.4	22.4	0	0	0	108.9	V92 F125 E135	N90-V92 PolarHBondContact OD1-O 3.3Å; N90-F125 HydrophobicContact CB-CE1 3.8Å; N90-F125 HydrophobicContact CB-CZ 3.87Å; N90-E135 PolarHBondContact ND2-OE2 2.81Å
91	E	97	Very high	93.2	Very high	44 Å²	44	53.7 Å²	53.7	21%	0.206	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-38.7	-175.4	-62.5	-68.4	-179.6	0	0	111.9	V81 N83 K89 I110	V81-E91 PolarHBondContact O-N 3.46Å; N83-E91 HydrophobicContact CB-CG 3.4Å; N83-E91 PolarHBondContact ND2-OE1 2.92Å; N83-E91 VanDerWaalsContact ND2-OE1 3.13Å; K89-E91 WeakPolarHBondContact CD-OE1 3.06Å; K89-E91 WeakPolarHBondContact CE-OE1 3.22Å; K89-E91 VanDerWaalsContact CE-OE2 3.29Å; K89-E91 WeakPolarHBondContact CE-OE2 3.41Å; K89-E91 HydrophobicContact CG-CG 4.46Å; K89-E91 IonicContact NZ-OE1 2.8Å; K89-E91 PolarHBondContact NZ-OE1 3.21Å; K89-E91 IonicContact NZ-OE2 2.68Å; K89-E91 PolarHBondContact NZ-OE2 2.98Å; K89-E91 PolarHBondContact O-N 3.07Å; E91-I110 HydrophobicContact CB-CD1 3.66Å; E91-I110 HydrophobicContact CB-CG1 3.84Å; E91-I110 HydrophobicContact CG-CD1 3.99Å; E91-I110 HydrophobicContact CG-CG1 3.99Å; E91-I110 HydrophobicContact CG-CG2 3.8Å
92	V	96.6	Very high	92.9	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	120.2	178.3	178.1	0	0	0	0	109.2	G80 V81 N90 L103 A106	G80-V92 CarbonylContact C-O 3.58Å; G80-V92 WeakPolarHBondContact CA-O 3.41Å; V81-V92 HydrophobicContact CB-CB 3.87Å; V81-V92 HydrophobicContact CB-CG2 4.09Å; V81-V92 HydrophobicContact CG2-CB 3.98Å; V81-V92 HydrophobicContact CG2-CG2 4.13Å; V81-V92 PolarHBondContact N-O 3.43Å; V81-V92 PolarHBondContact O-N 2.91Å; N90-V92 PolarHBondContact OD1-O 3.3Å; V92-L103 HydrophobicContact CG1-CD2 3.69Å; V92-A106 HydrophobicContact CG2-CB 3.86Å
93	S	95.3	Very high	92.7	Very high	9 Å²	9	55.1 Å²	55.1	6%	0.063	27%	0.271	C	S	.	.			trans	-91.9	145.6	174	179.1	0	0	0	0	110.4	K95 T96 E135	S93-K95 PolarHBondContact O-N 2.94Å; S93-K95 WeakPolarHBondContact OG-CG 3.4Å; S93-T96 PolarHBondContact O-N 3.5Å; S93-T96 VanDerWaalsContact O-N 3.08Å; S93-T96 PolarHBondContact O-OG1 2.87Å; S93-E135 WeakPolarHBondContact CB-OE2 3.18Å; S93-E135 PolarHBondContact OG-O 3.32Å; S93-E135 PolarHBondContact OG-OE2 3.2Å
94	M	93.9	Very high	92.6	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.6	179.8	-65.7	-177.1	-152.2	0	0	113.1	D40 V42 R78 R98 A130 F131 E135 A137	D40-M94 HydrophobicContact CB-CE 3.99Å; D40-M94 HydrophobicContact CB-SD 3.76Å; V42-M94 HydrophobicContact CG2-CE 3.19Å; R78-M94 HydrophobicContact CB-CB 4.07Å; R78-M94 HydrophobicContact CB-CG 4.2Å; R78-M94 HydrophobicContact CB-SD 4.13Å; M94-R98 PolarHBondContact O-NH1 3.03Å; M94-R98 VanDerWaalsContact O-NH1 3.09Å; M94-A130 WeakPolarHBondContact CE-O 3.31Å; M94-F131 HydrophobicContact CE-CD1 3.91Å; M94-F131 HydrophobicContact CE-CE1 4.01Å; M94-E135 WeakPolarHBondContact CA-O 3.33Å; M94-E135 WeakPolarHBondContact CB-O 3.36Å; M94-E135 PolarHBondContact N-O 2.66Å; M94-A137 HydrophobicContact CE-CB 4.22Å; M94-A137 HydrophobicContact SD-CB 3.88Å
95	K	89.5	Confident	92.5	Very high	96 Å²	96	63 Å²	63	42%	0.417	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-24.3	175.4	75.4	-163.1	164.6	-166.6	0	114.4	S93 A134 E135	S93-K95 PolarHBondContact O-N 2.94Å; S93-K95 WeakPolarHBondContact OG-CG 3.4Å; K95-A134 WeakPolarHBondContact CD-O 3.32Å; K95-A134 PolarHBondContact NZ-O 3.3Å; K95-E135 PolarHBondContact N-O 3.04Å; K95-E135 IonicContact NZ-OE1 3.01Å; K95-E135 PolarHBondContact NZ-OE1 2.98Å; K95-E135 IonicContact NZ-OE2 2.75Å
96	T	86.5	Confident	92.6	Very high	75 Å²	75	63.9 Å²	63.9	46%	0.46	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-31	-165.3	55.6	0	0	0	0	114.1	S93	S93-T96 PolarHBondContact O-N 3.5Å; S93-T96 VanDerWaalsContact O-N 3.08Å; S93-T96 PolarHBondContact O-OG1 2.87Å
97	H	87.2	Confident	92.8	Very high	57 Å²	57	61 Å²	61	26%	0.264	30%	0.295	S	S	.	.			trans	-130.9	125.9	-176.6	-57.7	-45.5	0	0	0	111.1	A102 L103 A106	H97-A102 HydrophobicContact CB-CB 4.13Å; H97-L103 HydrophobicContact CB-CD2 3.58Å; H97-L103 HydrophobicContact CB-CG 3.76Å; H97-A106 VanDerWaalsContact CD2-CB 3.49Å; H97-A106 WeakPolarHBondContact CD2-CB 3.35Å; H97-A106 VanDerWaalsContact NE2-CB 3.34Å; H97-A106 WeakPolarHBondContact NE2-CB 3.49Å
98	R	82.3	Confident	92.9	Very high	96 Å²	96	54.1 Å²	54.1	36%	0.362	28%	0.279	S	S	.	.			trans	-113.1	-0.4	-175.7	-56.7	-60.6	-173.9	171.5	3.9	113.8	M94	M94-R98 PolarHBondContact O-NH1 3.03Å; M94-R98 VanDerWaalsContact O-NH1 3.09Å
99	T	87.4	Confident	92.9	Very high	77 Å²	77	59.4 Å²	59.4	47%	0.472	30%	0.299	S	S	.	.	S	Bend	trans	-129.9	150.2	-178.8	68.5	0	0	0	0	110.6	I101 A102 L103	T99-I101 VanDerWaalsContact C-N 3.32Å; T99-I101 PolarHBondContact O-N 3.2Å; T99-A102 PolarHBondContact O-N 2.7Å; T99-A102 WeakPolarHBondContact OG1-CB 3.09Å; T99-A102 PolarHBondContact OG1-N 3.07Å; T99-L103 PolarHBondContact O-N 3.31Å
100	K	88.8	Confident	92.8	Very high	76 Å²	76	55 Å²	55	33%	0.33	28%	0.28	S	S	.	.	H	α-helix	trans	-53.6	-48.4	176.9	-66.1	-177.2	178.7	-171.7	0	112	N68 L70 V72 A102 L103 V104	N68-K100 PolarHBondContact O-NZ 3.03Å; L70-K100 WeakPolarHBondContact O-CE 3.19Å; L70-K100 PolarHBondContact O-NZ 3.24Å; V72-K100 HydrophobicContact CB-CG 3.9Å; V72-K100 HydrophobicContact CG2-CG 3.82Å; K100-A102 VanDerWaalsContact C-N 3.31Å; K100-A102 PolarHBondContact O-N 3.02Å; K100-L103 PolarHBondContact O-N 2.81Å; K100-V104 WeakPolarHBondContact O-CG2 3.29Å; K100-V104 PolarHBondContact O-N 3.46Å
101	I	90.4	Very high	92.8	Very high	145 Å²	145	60 Å²	60	74%	0.744	30%	0.302	S	S	*	.	H	α-helix	trans	-58.6	-43.8	-177.3	-59.9	173.1	0	0	0	111	T99 K105	T99-I101 VanDerWaalsContact C-N 3.32Å; T99-I101 PolarHBondContact O-N 3.2Å; I101-K105 WeakPolarHBondContact O-CB 3.4Å; I101-K105 PolarHBondContact O-N 2.89Å; I101-K105 VanDerWaalsContact O-N 3.12Å
102	A	93.2	Very high	92.6	Very high	31 Å²	31	59.9 Å²	59.9	26%	0.256	31%	0.305	S	S	.	.	H	α-helix	trans	-68.4	-41.9	178.8	0	0	0	0	0	112.2	H97 T99 K100 K105 A106	H97-A102 HydrophobicContact CB-CB 4.13Å; T99-A102 PolarHBondContact O-N 2.7Å; T99-A102 WeakPolarHBondContact OG1-CB 3.09Å; T99-A102 PolarHBondContact OG1-N 3.07Å; K100-A102 VanDerWaalsContact C-N 3.31Å; K100-A102 PolarHBondContact O-N 3.02Å; A102-K105 PolarHBondContact O-N 3.21Å; A102-A106 WeakPolarHBondContact O-CB 3.46Å; A102-A106 PolarHBondContact O-N 3.48Å
103	L	94.1	Very high	92.4	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-50.2	176.6	-77.8	170.4	0	0	0	111.9	I67 V72 V79 V92 H97 T99 K100 K105 A106 V107	I67-L103 HydrophobicContact CG2-CB 4.16Å; I67-L103 HydrophobicContact CG2-CD1 4.22Å; V72-L103 HydrophobicContact CB-CD1 4.44Å; V72-L103 HydrophobicContact CG1-CD1 3.55Å; V72-L103 HydrophobicContact CG2-CD1 4.03Å; V79-L103 HydrophobicContact CB-CD1 3.86Å; V79-L103 HydrophobicContact CB-CD2 4.14Å; V79-L103 HydrophobicContact CG2-CD1 4Å; V92-L103 HydrophobicContact CG1-CD2 3.69Å; H97-L103 HydrophobicContact CB-CD2 3.58Å; H97-L103 HydrophobicContact CB-CG 3.76Å; T99-L103 PolarHBondContact O-N 3.31Å; K100-L103 PolarHBondContact O-N 2.81Å; L103-K105 VanDerWaalsContact C-N 3.29Å; L103-K105 PolarHBondContact O-N 3.03Å; L103-A106 WeakPolarHBondContact O-CB 3.38Å; L103-A106 PolarHBondContact O-N 3.48Å; L103-V107 WeakPolarHBondContact O-CG2 3.25Å; L103-V107 PolarHBondContact O-N 3.12Å
104	V	94.8	Very high	92.1	Very high	33 Å²	33	64.4 Å²	64.4	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-41.7	179.7	170.5	0	0	0	0	110.9	T64 I67 K100 A106 V107 S108	T64-V104 HydrophobicContact CG2-CB 4.35Å; T64-V104 HydrophobicContact CG2-CG1 3.52Å; T64-V104 HydrophobicContact CG2-CG2 3.9Å; I67-V104 HydrophobicContact CG2-CG2 4.01Å; K100-V104 WeakPolarHBondContact O-CG2 3.29Å; K100-V104 PolarHBondContact O-N 3.46Å; V104-A106 VanDerWaalsContact C-N 3.3Å; V104-A106 PolarHBondContact O-N 3.12Å; V104-V107 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-N 3.11Å
105	K	95.2	Very high	91.9	Very high	133 Å²	133	66.9 Å²	66.9	58%	0.578	35%	0.347	S	S	*	.	H	α-helix	trans	-65.8	-30.6	175	-174.3	176.9	-177	177.1	0	113.3	I101 A102 L103 S108 K109	I101-K105 WeakPolarHBondContact O-CB 3.4Å; I101-K105 PolarHBondContact O-N 2.89Å; I101-K105 VanDerWaalsContact O-N 3.12Å; A102-K105 PolarHBondContact O-N 3.21Å; L103-K105 VanDerWaalsContact C-N 3.29Å; L103-K105 PolarHBondContact O-N 3.03Å; K105-S108 PolarHBondContact O-OG 3.34Å; K105-K109 WeakPolarHBondContact O-CG 3.46Å
106	A	96.2	Very high	91.9	Very high	18 Å²	18	62.9 Å²	62.9	15%	0.149	33%	0.333	C	S	.	.	H	α-helix	trans	-74.1	-45.9	175.4	0	0	0	0	0	110.7	V92 H97 A102 L103 V104 S108 K109	V92-A106 HydrophobicContact CG2-CB 3.86Å; H97-A106 VanDerWaalsContact CD2-CB 3.49Å; H97-A106 WeakPolarHBondContact CD2-CB 3.35Å; H97-A106 VanDerWaalsContact NE2-CB 3.34Å; H97-A106 WeakPolarHBondContact NE2-CB 3.49Å; A102-A106 WeakPolarHBondContact O-CB 3.46Å; A102-A106 PolarHBondContact O-N 3.48Å; L103-A106 WeakPolarHBondContact O-CB 3.38Å; L103-A106 PolarHBondContact O-N 3.48Å; V104-A106 VanDerWaalsContact C-N 3.3Å; V104-A106 PolarHBondContact O-N 3.12Å; A106-S108 VanDerWaalsContact C-N 3.31Å; A106-S108 PolarHBondContact O-N 2.96Å; A106-K109 PolarHBondContact O-N 2.69Å; A106-K109 VanDerWaalsContact O-N 3.16Å
107	V	96.6	Very high	92.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.6	-43.3	176.1	171.6	0	0	0	0	111.4	K60 L63 I67 V81 L103 V104 K109 I110	K60-V107 HydrophobicContact CB-CG1 4.21Å; K60-V107 VanDerWaalsContact CD-O 3.26Å; K60-V107 WeakPolarHBondContact CD-O 3.28Å; K60-V107 HydrophobicContact CG-CG1 4.31Å; L63-V107 HydrophobicContact CB-CG1 3.97Å; L63-V107 HydrophobicContact CD2-CG1 4.18Å; I67-V107 HydrophobicContact CD1-CG2 3.94Å; V81-V107 HydrophobicContact CG2-CG2 4.07Å; L103-V107 WeakPolarHBondContact O-CG2 3.25Å; L103-V107 PolarHBondContact O-N 3.12Å; V104-V107 PolarHBondContact O-N 3.3Å; V107-K109 PolarHBondContact O-N 3.1Å; V107-K109 VanDerWaalsContact O-N 3.08Å; V107-I110 WeakPolarHBondContact O-CB 3.33Å; V107-I110 WeakPolarHBondContact O-CG1 3.48Å; V107-I110 PolarHBondContact O-N 3.35Å; V107-I110 VanDerWaalsContact O-N 3.1Å
108	S	95.8	Very high	92.5	Very high	63 Å²	63	59.7 Å²	59.7	44%	0.441	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.4	-178.5	72.8	0	0	0	0	113.8	K60 V104 K105 A106	K60-S108 PolarHBondContact NZ-O 3.15Å; V104-S108 PolarHBondContact O-N 3.11Å; K105-S108 PolarHBondContact O-OG 3.34Å; A106-S108 VanDerWaalsContact C-N 3.31Å; A106-S108 PolarHBondContact O-N 2.96Å
109	K	96.1	Very high	93.1	Very high	148 Å²	148	55.1 Å²	55.1	64%	0.643	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.9	-178.7	-67	177.2	176.8	-169.1	0	114.1	K105 A106 V107 E111	K105-K109 WeakPolarHBondContact O-CG 3.46Å; A106-K109 PolarHBondContact O-N 2.69Å; A106-K109 VanDerWaalsContact O-N 3.16Å; V107-K109 PolarHBondContact O-N 3.1Å; V107-K109 VanDerWaalsContact O-N 3.08Å; K109-E111 PolarHBondContact O-N 2.73Å
110	I	96.4	Very high	93.5	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.041	28%	0.277	C	S	.	.			trans	-68.1	131.4	-180	-60.9	175.4	0	0	0	109	F56 K60 V81 N83 E91 V107	F56-I110 HydrophobicContact CE1-CB 4.42Å; F56-I110 HydrophobicContact CE1-CG2 3.88Å; F56-I110 HydrophobicContact CZ-CG2 3.74Å; K60-I110 HydrophobicContact CD-CB 4.41Å; K60-I110 PolarHBondContact NZ-O 3.07Å; V81-I110 HydrophobicContact CB-CD1 4.28Å; V81-I110 HydrophobicContact CG1-CD1 3.66Å; N83-I110 HydrophobicContact CB-CG2 4.25Å; E91-I110 HydrophobicContact CB-CD1 3.66Å; E91-I110 HydrophobicContact CB-CG1 3.84Å; E91-I110 HydrophobicContact CG-CD1 3.99Å; E91-I110 HydrophobicContact CG-CG1 3.99Å; E91-I110 HydrophobicContact CG-CG2 3.8Å; V107-I110 WeakPolarHBondContact O-CB 3.33Å; V107-I110 WeakPolarHBondContact O-CG1 3.48Å; V107-I110 PolarHBondContact O-N 3.35Å; V107-I110 VanDerWaalsContact O-N 3.1Å
111	E	94.8	Very high	93.9	Very high	148 Å²	148	50.7 Å²	50.7	69%	0.692	28%	0.28	S	S	*	.			trans	-106.6	139.1	176.8	-66.6	-177.8	168.7	0	0	110.4	N83 K109	N83-E111 PolarHBondContact ND2-O 2.92Å; K109-E111 PolarHBondContact O-N 2.73Å
112	P	94.3	Very high	94.3	Very high	41 Å²	41	43.8 Å²	43.8	27%	0.266	24%	0.244	S	C	.	.			trans	-72.1	145.1	-179	29.4	-34.5	0	0	0	112.3	F56	F56-P112 HydrophobicContact CB-CB 4.45Å; F56-P112 HydrophobicContact CD1-CB 3.95Å; F56-P112 HydrophobicContact CD1-CG 4.21Å; F56-P112 HydrophobicContact CD2-CB 4.35Å; F56-P112 HydrophobicContact CE1-CB 4.27Å; F56-P112 HydrophobicContact CG-CB 3.98Å
113	L	92.7	Very high	94.5	Very high	53 Å²	53	42.5 Å²	42.5	28%	0.277	23%	0.233	S	C	.	.			trans	-85.5	-22.4	-177.2	-61	176	0	0	0	113.4	S47 A85 R87 T115	S47-L113 PolarHBondContact OG-N 3Å; A85-L113 HydrophobicContact CB-CB 3.6Å; A85-L113 HydrophobicContact CB-CD1 4.25Å; R87-L113 VanDerWaalsContact O-CD1 3.31Å; R87-L113 WeakPolarHBondContact O-CD1 3.49Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 2.87Å
114	S	88.4	Confident	94.7	Very high	52 Å²	52	44.6 Å²	44.6	36%	0.364	24%	0.243	S	C	.	.			trans	55.2	32.3	169.4	-52.5	0	0	0	0	116.5	S47	S47-S114 WeakPolarHBondContact O-CA 3.17Å; S47-S114 PolarHBondContact O-N 2.73Å
115	T	88.8	Confident	94.8	Very high	54 Å²	54	45.6 Å²	45.6	33%	0.331	25%	0.245	S	C	.	.	S	Bend	trans	-115.2	-142.3	179.3	50.6	0	0	0	0	111.9	R49 A85 S86 L113	R49-T115 WeakPolarHBondContact CB-O 3.25Å; R49-T115 PolarHBondContact N-O 3.44Å; A85-T115 WeakPolarHBondContact CB-OG1 3.26Å; S86-T115 WeakPolarHBondContact CB-OG1 3.4Å; S86-T115 PolarHBondContact N-OG1 3Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 2.87Å
116	G	90.2	Very high	94.9	Very high	11 Å²	11	39.4 Å²	39.4	11%	0.113	22%	0.218	C	C	.	.			trans	-74.6	-171.3	178.6	0	0	0	0	0	113.2	S48 A85 S86	S48-G116 WeakPolarHBondContact CB-O 3.34Å; A85-G116 CarbonylContact C-O 3.58Å; A85-G116 WeakPolarHBondContact CA-O 3.3Å; A85-G116 VanDerWaalsContact CB-O 3.24Å; A85-G116 WeakPolarHBondContact CB-O 3.41Å; S86-G116 PolarHBondContact N-O 3.21Å; S86-G116 VanDerWaalsContact N-O 3.09Å; S86-G116 VanDerWaalsContact OG-CA 3.29Å; S86-G116 WeakPolarHBondContact OG-CA 3.31Å; S86-G116 PolarHBondContact OG-N 2.98Å
117	T	91.4	Very high	95	Very high	10 Å²	10	40.2 Å²	40.2	6%	0.061	22%	0.22	C	C	.	.			trans	-125.1	83.8	-173	-46.8	0	0	0	0	110.1	D46 S48 Y84 T119 Q157	D46-T117 WeakPolarHBondContact OD2-CG2 3.44Å; S48-T117 WeakPolarHBondContact CB-OG1 3.47Å; S48-T117 PolarHBondContact OG-OG1 3.16Å; S48-T117 VanDerWaalsContact OG-OG1 3.1Å; Y84-T117 HydrophobicContact CE2-CG2 4.26Å; T117-T119 PolarHBondContact O-N 2.9Å; T117-Q157 PolarHBondContact O-N 2.88Å
118	M	94.9	Very high	95	Very high	55 Å²	55	44.9 Å²	44.9	27%	0.271	25%	0.245	S	C	.	.			trans	-98.4	67.3	-178.3	-60.7	-64.5	-167.6	0	0	111.5	A85 S121 A122 Q157 D158	A85-M118 WeakPolarHBondContact O-CB 3.35Å; A85-M118 PolarHBondContact O-N 2.86Å; M118-S121 WeakPolarHBondContact O-CB 3.25Å; M118-S121 PolarHBondContact O-N 2.86Å; M118-A122 PolarHBondContact O-N 2.87Å; M118-A122 VanDerWaalsContact O-N 3.08Å; M118-Q157 HydrophobicContact CE-CB 4.47Å; M118-Q157 HydrophobicContact SD-CB 4.03Å; M118-D158 HydrophobicContact SD-CB 4.02Å
119	T	95.1	Very high	95.1	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-38.7	-175.7	-48.2	0	0	0	0	112.1	Y84 T117 S121 A122 I123 I150 D158 V160 M190	Y84-T119 VanDerWaalsContact CE2-CA 3.5Å; Y84-T119 HydrophobicContact CE2-CG2 4.41Å; Y84-T119 WeakPolarHBondContact CE2-OG1 2.96Å; Y84-T119 WeakPolarHBondContact OH-CG2 3.5Å; Y84-T119 PolarHBondContact OH-OG1 2.87Å; T117-T119 PolarHBondContact O-N 2.9Å; T119-S121 VanDerWaalsContact C-N 3.31Å; T119-S121 PolarHBondContact O-N 2.83Å; T119-A122 WeakPolarHBondContact O-CB 3.48Å; T119-A122 PolarHBondContact O-N 3.32Å; T119-A122 VanDerWaalsContact O-N 3.12Å; T119-I123 HydrophobicContact CG2-CD1 4.34Å; T119-I123 WeakPolarHBondContact O-CG1 3.41Å; T119-I123 PolarHBondContact O-N 2.83Å; T119-I150 HydrophobicContact CG2-CG2 4.25Å; T119-D158 PolarHBondContact N-OD1 3.21Å; T119-D158 VanDerWaalsContact N-OD1 3.12Å; T119-V160 HydrophobicContact CG2-CG1 4.2Å; T119-M190 HydrophobicContact CG2-SD 3.55Å; T119-M190 VanDerWaalsContact CG2-SD 3.55Å
120	G	96.3	Very high	95.1	Very high	5 Å²	5	37.1 Å²	37.1	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-42.2	177.7	0	0	0	0	0	111.6	A122 I123 Q124 D158	G120-A122 VanDerWaalsContact C-N 3.31Å; G120-A122 PolarHBondContact O-N 2.96Å; G120-I123 PolarHBondContact O-N 2.63Å; G120-Q124 WeakPolarHBondContact O-CB 3.43Å; G120-Q124 PolarHBondContact O-N 2.98Å; G120-D158 WeakPolarHBondContact CA-OD2 3.41Å; G120-D158 PolarHBondContact N-OD1 3.48Å; G120-D158 PolarHBondContact N-OD2 2.93Å
121	S	97	Very high	95.2	Very high	55 Å²	55	37.5 Å²	37.5	39%	0.385	21%	0.209	S	C	.	.	H	α-helix	trans	-63.5	-36.2	174.4	-57.5	0	0	0	0	112.2	M118 T119 Q124 F125 D158	M118-S121 WeakPolarHBondContact O-CB 3.25Å; M118-S121 PolarHBondContact O-N 2.86Å; T119-S121 VanDerWaalsContact C-N 3.31Å; T119-S121 PolarHBondContact O-N 2.83Å; S121-Q124 PolarHBondContact O-N 2.9Å; S121-F125 WeakPolarHBondContact O-CB 3.38Å; S121-F125 PolarHBondContact O-N 3.01Å; S121-D158 WeakPolarHBondContact CB-OD2 3.32Å; S121-D158 PolarHBondContact N-OD2 2.77Å; S121-D158 PolarHBondContact OG-OD2 3.35Å
122	A	97.3	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.4	-42.7	175.7	0	0	0	0	0	112.3	I44 Y84 V88 M118 T119 G120 Q124 F125 A126	I44-A122 HydrophobicContact CG2-CB 3.65Å; Y84-A122 HydrophobicContact CD1-CB 3.57Å; Y84-A122 HydrophobicContact CD2-CB 3.8Å; Y84-A122 HydrophobicContact CE1-CB 4.13Å; Y84-A122 HydrophobicContact CE2-CB 4.34Å; Y84-A122 HydrophobicContact CG-CB 3.38Å; V88-A122 HydrophobicContact CG2-CB 4.2Å; M118-A122 PolarHBondContact O-N 2.87Å; M118-A122 VanDerWaalsContact O-N 3.08Å; T119-A122 WeakPolarHBondContact O-CB 3.48Å; T119-A122 PolarHBondContact O-N 3.32Å; T119-A122 VanDerWaalsContact O-N 3.12Å; G120-A122 VanDerWaalsContact C-N 3.31Å; G120-A122 PolarHBondContact O-N 2.96Å; A122-Q124 VanDerWaalsContact C-N 3.34Å; A122-F125 PolarHBondContact O-N 2.82Å; A122-A126 WeakPolarHBondContact O-CB 3.27Å; A122-A126 PolarHBondContact O-N 2.78Å
123	I	97.9	Very high	95.3	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-43.1	173.3	-60.3	167.6	0	0	0	110	T119 G120 F125 A126 L127 I150 V160 V163 A164 A167 M190	T119-I123 HydrophobicContact CG2-CD1 4.34Å; T119-I123 WeakPolarHBondContact O-CG1 3.41Å; T119-I123 PolarHBondContact O-N 2.83Å; G120-I123 PolarHBondContact O-N 2.63Å; I123-F125 VanDerWaalsContact C-N 3.31Å; I123-F125 PolarHBondContact O-N 2.91Å; I123-A126 PolarHBondContact O-N 2.8Å; I123-L127 WeakPolarHBondContact O-CB 3.37Å; I123-L127 PolarHBondContact O-N 2.71Å; I123-I150 HydrophobicContact CD1-CD1 3.78Å; I123-I150 HydrophobicContact CG1-CD1 3.76Å; I123-V160 HydrophobicContact CD1-CB 4.49Å; I123-V163 HydrophobicContact CB-CG1 4.08Å; I123-V163 HydrophobicContact CB-CG2 4.15Å; I123-V163 HydrophobicContact CD1-CG1 4.37Å; I123-V163 HydrophobicContact CG2-CG1 4.2Å; I123-V163 HydrophobicContact CG2-CG2 3.91Å; I123-A164 HydrophobicContact CD1-CB 4.38Å; I123-A167 HydrophobicContact CG2-CB 4.1Å; I123-M190 HydrophobicContact CD1-CG 4.06Å; I123-M190 HydrophobicContact CD1-SD 3.92Å
124	Q	98.1	Very high	95.4	Very high	45 Å²	45	37.4 Å²	37.4	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-43.4	177.6	-174.1	62.5	82.1	0	0	111.7	G120 S121 A122 N128 V163	G120-Q124 WeakPolarHBondContact O-CB 3.43Å; G120-Q124 PolarHBondContact O-N 2.98Å; S121-Q124 PolarHBondContact O-N 2.9Å; A122-Q124 VanDerWaalsContact C-N 3.34Å; Q124-N128 VanDerWaalsContact NE2-CG 3.26Å; Q124-N128 PolarHBondContact NE2-ND2 2.83Å; Q124-N128 PolarHBondContact NE2-OD1 3.06Å; Q124-N128 WeakPolarHBondContact O-CB 3.34Å; Q124-N128 PolarHBondContact O-N 3.48Å; Q124-V163 HydrophobicContact CB-CG2 3.72Å; Q124-V163 HydrophobicContact CG-CG2 4.45Å
125	F	98.3	Very high	95.8	Very high	54 Å²	54	36.6 Å²	36.6	24%	0.237	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-42.7	176.9	-176.3	-86	0	0	0	111.3	V82 V88 N90 S121 A122 I123 L127 N128 V129 A130	V82-F125 HydrophobicContact CG1-CD1 4.07Å; V82-F125 HydrophobicContact CG2-CD1 4.17Å; V82-F125 HydrophobicContact CG2-CE1 4.29Å; V88-F125 HydrophobicContact CB-CB 4.22Å; V88-F125 HydrophobicContact CB-CD2 4.33Å; V88-F125 HydrophobicContact CB-CG 4.14Å; V88-F125 HydrophobicContact CG1-CB 3.68Å; V88-F125 HydrophobicContact CG1-CD1 3.62Å; V88-F125 HydrophobicContact CG1-CD2 4.14Å; V88-F125 HydrophobicContact CG1-CE1 4.31Å; V88-F125 HydrophobicContact CG1-CG 3.52Å; V88-F125 HydrophobicContact CG2-CB 4.42Å; N90-F125 HydrophobicContact CB-CE1 3.8Å; N90-F125 HydrophobicContact CB-CZ 3.87Å; S121-F125 WeakPolarHBondContact O-CB 3.38Å; S121-F125 PolarHBondContact O-N 3.01Å; A122-F125 PolarHBondContact O-N 2.82Å; I123-F125 VanDerWaalsContact C-N 3.31Å; I123-F125 PolarHBondContact O-N 2.91Å; F125-L127 PolarHBondContact O-N 3.03Å; F125-N128 PolarHBondContact O-N 2.8Å; F125-V129 HydrophobicContact CD1-CB 4.23Å; F125-V129 HydrophobicContact CD2-CB 4.3Å; F125-V129 HydrophobicContact CD2-CG2 3.98Å; F125-V129 HydrophobicContact CE1-CB 3.91Å; F125-V129 HydrophobicContact CE1-CG1 3.98Å; F125-V129 HydrophobicContact CE2-CB 4.01Å; F125-V129 HydrophobicContact CE2-CG1 4.1Å; F125-V129 HydrophobicContact CE2-CG2 3.83Å; F125-V129 HydrophobicContact CG-CB 4.4Å; F125-V129 HydrophobicContact CG-CG2 4.44Å; F125-V129 HydrophobicContact CZ-CB 3.79Å; F125-V129 HydrophobicContact CZ-CG1 3.6Å; F125-V129 HydrophobicContact CZ-CG2 4.14Å; F125-V129 WeakPolarHBondContact O-CA 3.39Å; F125-V129 VanDerWaalsContact O-CB 3.28Å; F125-V129 WeakPolarHBondContact O-CB 3.38Å; F125-V129 PolarHBondContact O-N 3Å; F125-A130 PolarHBondContact O-N 2.76Å
126	A	97.6	Very high	96	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.017	20%	0.198	C	C	.	.	I	π-helix	trans	-59.9	-47.7	176.8	0	0	0	0	0	111.2	I44 A122 I123 N128 A130 F131	I44-A126 HydrophobicContact CD1-CB 3.43Å; I44-A126 VanDerWaalsContact CD1-CB 3.43Å; I44-A126 HydrophobicContact CG1-CB 4.11Å; A122-A126 WeakPolarHBondContact O-CB 3.27Å; A122-A126 PolarHBondContact O-N 2.78Å; I123-A126 PolarHBondContact O-N 2.8Å; A126-N128 PolarHBondContact O-N 3.2Å; A126-A130 HydrophobicContact CB-CB 4.36Å; A126-A130 PolarHBondContact O-N 3.32Å; A126-A130 VanDerWaalsContact O-N 3.16Å; A126-F131 HydrophobicContact CB-CD2 4.41Å; A126-F131 HydrophobicContact CB-CE2 4.49Å; A126-F131 WeakPolarHBondContact O-CD2 3.46Å; A126-F131 PolarHBondContact O-N 3.01Å
127	L	96.9	Very high	96.2	Very high	35 Å²	35	34.1 Å²	34.1	18%	0.183	19%	0.194	C	C	.	.	I	π-helix	trans	-57.9	-48.6	176.8	175.4	59.5	0	0	0	112.5	I123 F125 R166 A170 I172	I123-L127 WeakPolarHBondContact O-CB 3.37Å; I123-L127 PolarHBondContact O-N 2.71Å; F125-L127 PolarHBondContact O-N 3.03Å; L127-R166 HydrophobicContact CD2-CB 4.06Å; L127-A170 HydrophobicContact CD1-CB 3.68Å; L127-I172 HydrophobicContact CD1-CD1 3.76Å
128	N	96.8	Very high	96.3	Very high	99 Å²	99	35.3 Å²	35.3	53%	0.529	20%	0.198	S	C	.	.	I	π-helix	trans	-84.8	-28.7	-172.1	-67.8	-6.9	0	0	0	113.8	Q124 F125 A126	Q124-N128 VanDerWaalsContact NE2-CG 3.26Å; Q124-N128 PolarHBondContact NE2-ND2 2.83Å; Q124-N128 PolarHBondContact NE2-OD1 3.06Å; Q124-N128 WeakPolarHBondContact O-CB 3.34Å; Q124-N128 PolarHBondContact O-N 3.48Å; F125-N128 PolarHBondContact O-N 2.8Å; A126-N128 PolarHBondContact O-N 3.2Å
129	V	97.7	Very high	96.1	Very high	45 Å²	45	35.3 Å²	35.3	27%	0.273	21%	0.206	S	C	.	.	I	π-helix	trans	-120.9	-60.7	-168.5	-174.4	0	0	0	0	110.8	F125 F131 S132 E135	F125-V129 HydrophobicContact CD1-CB 4.23Å; F125-V129 HydrophobicContact CD2-CB 4.3Å; F125-V129 HydrophobicContact CD2-CG2 3.98Å; F125-V129 HydrophobicContact CE1-CB 3.91Å; F125-V129 HydrophobicContact CE1-CG1 3.98Å; F125-V129 HydrophobicContact CE2-CB 4.01Å; F125-V129 HydrophobicContact CE2-CG1 4.1Å; F125-V129 HydrophobicContact CE2-CG2 3.83Å; F125-V129 HydrophobicContact CG-CB 4.4Å; F125-V129 HydrophobicContact CG-CG2 4.44Å; F125-V129 HydrophobicContact CZ-CB 3.79Å; F125-V129 HydrophobicContact CZ-CG1 3.6Å; F125-V129 HydrophobicContact CZ-CG2 4.14Å; F125-V129 WeakPolarHBondContact O-CA 3.39Å; F125-V129 VanDerWaalsContact O-CB 3.28Å; F125-V129 WeakPolarHBondContact O-CB 3.38Å; F125-V129 PolarHBondContact O-N 3Å; V129-F131 VanDerWaalsContact C-N 3.33Å; V129-F131 PolarHBondContact O-N 2.82Å; V129-S132 WeakPolarHBondContact O-CB 3.46Å; V129-S132 PolarHBondContact O-N 3.33Å; V129-S132 PolarHBondContact O-OG 2.68Å; V129-E135 HydrophobicContact CG1-CG 3.93Å; V129-E135 WeakPolarHBondContact O-CB 3.22Å; V129-E135 VanDerWaalsContact O-CG 3.24Å; V129-E135 WeakPolarHBondContact O-CG 3.48Å
130	A	97.4	Very high	95.6	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	24%	0.238	C	C	.	.	I	π-helix	trans	-64.2	-36.6	-172.5	0	0	0	0	0	113	V42 V82 M94 F125 A126 S132	V42-A130 HydrophobicContact CG1-CB 4.06Å; V42-A130 HydrophobicContact CG2-CB 4.03Å; V82-A130 HydrophobicContact CG2-CB 3.82Å; M94-A130 WeakPolarHBondContact CE-O 3.31Å; F125-A130 PolarHBondContact O-N 2.76Å; A126-A130 HydrophobicContact CB-CB 4.36Å; A126-A130 PolarHBondContact O-N 3.32Å; A126-A130 VanDerWaalsContact O-N 3.16Å; A130-S132 VanDerWaalsContact C-N 3.32Å
131	F	97.3	Very high	94.9	Very high	16 Å²	16	44.4 Å²	44.4	7%	0.07	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8.5	175	-76.1	-72.8	0	0	0	114.3	D40 V42 M94 A126 V129 A137 K146 V147 A148 I172	D40-F131 HydrophobicContact CB-CD1 4.45Å; D40-F131 HydrophobicContact CB-CE1 4.26Å; D40-F131 WeakPolarHBondContact O-CE1 3.38Å; V42-F131 HydrophobicContact CB-CE1 4.49Å; V42-F131 HydrophobicContact CB-CE2 3.8Å; V42-F131 HydrophobicContact CB-CZ 3.73Å; V42-F131 HydrophobicContact CG2-CD1 4.2Å; V42-F131 HydrophobicContact CG2-CD2 4.05Å; V42-F131 HydrophobicContact CG2-CE1 3.75Å; V42-F131 HydrophobicContact CG2-CE2 3.58Å; V42-F131 HydrophobicContact CG2-CG 4.34Å; V42-F131 HydrophobicContact CG2-CZ 3.43Å; V42-F131 VanDerWaalsContact CG2-CZ 3.43Å; M94-F131 HydrophobicContact CE-CD1 3.91Å; M94-F131 HydrophobicContact CE-CE1 4.01Å; A126-F131 HydrophobicContact CB-CD2 4.41Å; A126-F131 HydrophobicContact CB-CE2 4.49Å; A126-F131 WeakPolarHBondContact O-CD2 3.46Å; A126-F131 PolarHBondContact O-N 3.01Å; V129-F131 VanDerWaalsContact C-N 3.33Å; V129-F131 PolarHBondContact O-N 2.82Å; F131-A137 WeakPolarHBondContact O-CB 3.39Å; F131-K146 HydrophobicContact CD1-CB 4.17Å; F131-K146 HydrophobicContact CD1-CD 4.2Å; F131-K146 HydrophobicContact CD1-CG 4.22Å; F131-K146 HydrophobicContact CE1-CB 3.88Å; F131-K146 HydrophobicContact CE1-CG 4.33Å; F131-V147 WeakPolarHBondContact CZ-O 3.33Å; F131-A148 HydrophobicContact CE2-CB 4.16Å; F131-A148 HydrophobicContact CZ-CB 4.29Å; F131-I172 HydrophobicContact CB-CD1 4.35Å; F131-I172 HydrophobicContact CD2-CD1 3.58Å; F131-I172 HydrophobicContact CD2-CG1 4.28Å; F131-I172 HydrophobicContact CD2-CG2 4.49Å; F131-I172 HydrophobicContact CE2-CD1 3.98Å; F131-I172 HydrophobicContact CE2-CG1 4.38Å; F131-I172 HydrophobicContact CE2-CG2 3.8Å; F131-I172 HydrophobicContact CG-CD1 3.98Å; F131-I172 HydrophobicContact CG-CG1 4.44Å; F131-I172 HydrophobicContact CZ-CG2 3.85Å
132	S	96.4	Very high	93.8	Very high	31 Å²	31	47.1 Å²	47.1	22%	0.217	27%	0.266	C	S	.	.	S	Bend	trans	-77.3	151.2	175.1	76.5	0	0	0	0	111.7	V129 A130 A134 E135 G136 A137	V129-S132 WeakPolarHBondContact O-CB 3.46Å; V129-S132 PolarHBondContact O-N 3.33Å; V129-S132 PolarHBondContact O-OG 2.68Å; A130-S132 VanDerWaalsContact C-N 3.32Å; S132-A134 PolarHBondContact O-N 3.4Å; S132-E135 PolarHBondContact O-N 3.43Å; S132-E135 PolarHBondContact OG-N 2.81Å; S132-G136 PolarHBondContact O-N 2.79Å; S132-A137 WeakPolarHBondContact O-CB 3.15Å; S132-A137 PolarHBondContact O-N 2.91Å
133	E	94.6	Very high	92.9	Very high	137 Å²	137	52.2 Å²	52.2	64%	0.64	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-61.7	-30.8	174.1	-64.5	-176.1	-156.6	0	0	112.2	E135 G136 A137 A139	E133-E135 PolarHBondContact O-N 3.41Å; E133-G136 PolarHBondContact O-N 2.97Å; E133-A137 WeakPolarHBondContact CA-O 3.17Å; E133-A139 WeakPolarHBondContact OE1-CB 3.45Å
134	A	94.9	Very high	92.3	Very high	72 Å²	72	53.2 Å²	53.2	60%	0.595	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-61	-29.2	175.1	0	0	0	0	0	112.7	K95 S132	K95-A134 WeakPolarHBondContact CD-O 3.32Å; K95-A134 PolarHBondContact NZ-O 3.3Å; S132-A134 PolarHBondContact O-N 3.4Å
135	E	96.1	Very high	91.8	Very high	34 Å²	34	52.1 Å²	52.1	16%	0.159	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-96.1	8	175	-67.1	-55.4	119.9	0	0	113.4	N90 S93 M94 K95 V129 S132 E133	N90-E135 PolarHBondContact ND2-OE2 2.81Å; S93-E135 WeakPolarHBondContact CB-OE2 3.18Å; S93-E135 PolarHBondContact OG-O 3.32Å; S93-E135 PolarHBondContact OG-OE2 3.2Å; M94-E135 WeakPolarHBondContact CA-O 3.33Å; M94-E135 WeakPolarHBondContact CB-O 3.36Å; M94-E135 PolarHBondContact N-O 2.66Å; K95-E135 PolarHBondContact N-O 3.04Å; K95-E135 IonicContact NZ-OE1 3.01Å; K95-E135 PolarHBondContact NZ-OE1 2.98Å; K95-E135 IonicContact NZ-OE2 2.75Å; V129-E135 HydrophobicContact CG1-CG 3.93Å; V129-E135 WeakPolarHBondContact O-CB 3.22Å; V129-E135 VanDerWaalsContact O-CG 3.24Å; V129-E135 WeakPolarHBondContact O-CG 3.48Å; S132-E135 PolarHBondContact O-N 3.43Å; S132-E135 PolarHBondContact OG-N 2.81Å; E133-E135 PolarHBondContact O-N 3.41Å
136	G	93.6	Very high	91.6	Very high	9 Å²	9	50.6 Å²	50.6	9%	0.093	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	7.4	171.5	0	0	0	0	0	115.1	R78 S132 E133	R78-G136 WeakPolarHBondContact CD-O 3.29Å; R78-G136 PolarHBondContact NH1-O 3.23Å; S132-G136 PolarHBondContact O-N 2.79Å; E133-G136 PolarHBondContact O-N 2.97Å
137	A	94.9	Very high	91.4	Very high	5 Å²	5	50.6 Å²	50.6	4%	0.041	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-66.7	155.3	165.6	0	0	0	0	0	110.2	D40 M94 F131 S132 E133	D40-A137 WeakPolarHBondContact OD2-CA 2.97Å; M94-A137 HydrophobicContact CE-CB 4.22Å; M94-A137 HydrophobicContact SD-CB 3.88Å; F131-A137 WeakPolarHBondContact O-CB 3.39Å; S132-A137 WeakPolarHBondContact O-CB 3.15Å; S132-A137 PolarHBondContact O-N 2.91Å; E133-A137 WeakPolarHBondContact CA-O 3.17Å
138	R	93.8	Very high	91.4	Very high	35 Å²	35	49.1 Å²	49.1	13%	0.132	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-88.5	157.3	177.7	-73.4	168.5	-75.5	146.5	1.1	110.9	P38 T39 D40 V144 K146	P38-R138 VanDerWaalsContact CG-NH1 3.31Å; P38-R138 VanDerWaalsContact O-CZ 3.27Å; P38-R138 PolarHBondContact O-NH1 2.72Å; P38-R138 PolarHBondContact O-NH2 2.93Å; T39-R138 PolarHBondContact O-NH2 3.42Å; D40-R138 VanDerWaalsContact N-NH2 3.14Å; D40-R138 IonicContact OD1-CZ 3.46Å; D40-R138 VanDerWaalsContact OD1-CZ 3.23Å; D40-R138 IonicContact OD1-NE 3.77Å; D40-R138 PolarHBondContact OD1-NE 2.95Å; D40-R138 IonicContact OD1-NH2 3.7Å; D40-R138 PolarHBondContact OD1-NH2 3.4Å; D40-R138 PolarHBondContact OD2-N 3.09Å; D40-R138 IonicContact OD2-NE 2.88Å; R138-V144 HydrophobicContact CB-CG1 4.11Å; R138-V144 VanDerWaalsContact NH1-CG1 3.26Å; R138-K146 WeakPolarHBondContact O-CE 3.22Å; R138-K146 PolarHBondContact O-NZ 3.03Å
139	A	90.5	Very high	91.3	Very high	54 Å²	54	44.4 Å²	44.4	45%	0.446	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-56.4	153	171.7	0	0	0	0	0	111.2	E133 S141	E133-A139 WeakPolarHBondContact OE1-CB 3.45Å; A139-S141 PolarHBondContact O-N 3.18Å
140	K	84.4	Confident	91.3	Very high	155 Å²	155	42.3 Å²	42.3	67%	0.674	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-61.5	120.3	177.4	-173.4	172.9	-177.7	166.2	0	109.5	A170	K140-A170 WeakPolarHBondContact CE-O 3.28Å; K140-A170 PolarHBondContact NZ-O 3.41Å; K140-A170 VanDerWaalsContact NZ-O 3.15Å
141	S	82.6	Confident	91.1	Very high	43 Å²	43	42.2 Å²	42.2	30%	0.301	24%	0.244	S	C	.	.			trans	-148.5	144.8	179.9	167.5	0	0	0	0	109.8	A139 D143 V144	A139-S141 PolarHBondContact O-N 3.18Å; S141-D143 PolarHBondContact O-N 2.63Å; S141-D143 VanDerWaalsContact O-N 3.16Å; S141-D143 PolarHBondContact OG-N 3.4Å; S141-D143 VanDerWaalsContact OG-N 3.16Å; S141-V144 PolarHBondContact O-N 2.85Å; S141-V144 VanDerWaalsContact O-N 3.11Å
142	P	72.9	Confident	90.9	Very high	112 Å²	112	41.6 Å²	41.6	73%	0.727	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.9	173.2	26.5	-35.7	0	0	0	113.7	R37	R37-P142 PolarHBondContact NH1-O 3.01Å
143	D	78	Confident	90.3	Very high	106 Å²	106	41.1 Å²	41.1	57%	0.567	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.4	179.8	-57.4	-46.5	0	0	0	113.2	S141	S141-D143 PolarHBondContact O-N 2.63Å; S141-D143 VanDerWaalsContact O-N 3.16Å; S141-D143 PolarHBondContact OG-N 3.4Å; S141-D143 VanDerWaalsContact OG-N 3.16Å
144	V	84.6	Confident	89.3	Confident	25 Å²	25	35.1 Å²	35.1	15%	0.152	21%	0.211	C	C	.	.			trans	-124.5	113.3	-176.4	176.9	0	0	0	0	110.7	R138 S141	R138-V144 HydrophobicContact CB-CG1 4.11Å; R138-V144 VanDerWaalsContact NH1-CG1 3.26Å; S141-V144 PolarHBondContact O-N 2.85Å; S141-V144 VanDerWaalsContact O-N 3.11Å
145	S	89.2	Confident	88.8	Confident	22 Å²	22	40.4 Å²	40.4	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.7	172.9	-59.1	0	0	0	0	110.9	P38 T39 D40	P38-S145 PolarHBondContact O-N 3.5Å; T39-S145 CarbonylContact C-O 3.37Å; T39-S145 WeakPolarHBondContact CA-O 3.31Å; D40-S145 PolarHBondContact N-O 2.9Å
146	K	93.3	Very high	88.5	Confident	23 Å²	23	40.2 Å²	40.2	10%	0.1	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.2	170.4	-68.8	-178.5	179.1	-71	0	108.3	D40 F131 R138 I172 E173	D40-K146 HydrophobicContact CB-CG 4.32Å; D40-K146 WeakPolarHBondContact O-CA 3.34Å; D40-K146 IonicContact OD2-NZ 3.6Å; D40-K146 PolarHBondContact OD2-NZ 2.71Å; F131-K146 HydrophobicContact CD1-CB 4.17Å; F131-K146 HydrophobicContact CD1-CD 4.2Å; F131-K146 HydrophobicContact CD1-CG 4.22Å; F131-K146 HydrophobicContact CE1-CB 3.88Å; F131-K146 HydrophobicContact CE1-CG 4.33Å; R138-K146 WeakPolarHBondContact O-CE 3.22Å; R138-K146 PolarHBondContact O-NZ 3.03Å; K146-I172 HydrophobicContact CB-CG1 4.21Å; K146-I172 WeakPolarHBondContact O-CA 3.44Å; K146-E173 PolarHBondContact O-N 3.3Å
147	V	93.9	Very high	88.4	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131	-172	-176	0	0	0	0	110.3	T39 D40 L41 V42 F131 E173 F175 F219	T39-V147 HydrophobicContact CG2-CB 4.48Å; T39-V147 HydrophobicContact CG2-CG2 4.02Å; D40-V147 PolarHBondContact O-N 2.96Å; L41-V147 CarbonylContact C-O 3.55Å; L41-V147 WeakPolarHBondContact CA-O 2.97Å; L41-V147 HydrophobicContact CD1-CB 4.02Å; L41-V147 HydrophobicContact CD1-CG1 3.99Å; L41-V147 WeakPolarHBondContact CD1-O 3.46Å; V42-V147 PolarHBondContact N-O 3.29Å; F131-V147 WeakPolarHBondContact CZ-O 3.33Å; V147-E173 CarbonylContact C-O 3.38Å; V147-E173 WeakPolarHBondContact CA-O 3.29Å; V147-E173 HydrophobicContact CG2-CB 4.34Å; V147-F175 HydrophobicContact CG1-CD2 3.67Å; V147-F175 HydrophobicContact CG1-CE2 3.73Å; V147-F219 HydrophobicContact CB-CE1 4.08Å; V147-F219 HydrophobicContact CB-CZ 4.45Å; V147-F219 HydrophobicContact CG1-CE1 3.86Å; V147-F219 HydrophobicContact CG1-CZ 3.82Å; V147-F219 HydrophobicContact CG2-CE1 4.07Å
148	A	96.8	Very high	88.4	Confident	3 Å²	3	47.3 Å²	47.3	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.9	172.7	0	0	0	0	0	110.1	V42 I44 F131 I172 E173 I174 F175	V42-A148 CarbonylContact O-C 3.53Å; V42-A148 VanDerWaalsContact O-CA 3.31Å; V42-A148 WeakPolarHBondContact O-CA 3.1Å; I44-A148 HydrophobicContact CD1-CB 4.25Å; F131-A148 HydrophobicContact CE2-CB 4.16Å; F131-A148 HydrophobicContact CZ-CB 4.29Å; A148-I172 HydrophobicContact CB-CG2 3.84Å; A148-E173 PolarHBondContact N-O 3.18Å; A148-I174 HydrophobicContact CB-CG1 4.42Å; A148-I174 WeakPolarHBondContact O-CA 3.46Å; A148-F175 PolarHBondContact O-N 2.93Å
149	I	95.6	Very high	88.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	113.9	171	-61.4	175.1	0	0	0	107.9	L41 V42 F43 I44 V151 F175 I177 F215 F219	L41-I149 HydrophobicContact CD1-CD1 3.89Å; L41-I149 HydrophobicContact CD1-CG1 3.97Å; V42-I149 PolarHBondContact O-N 3.08Å; F43-I149 CarbonylContact C-O 3.49Å; F43-I149 WeakPolarHBondContact CA-O 3.47Å; F43-I149 HydrophobicContact CD1-CB 3.93Å; F43-I149 HydrophobicContact CD1-CD1 4.29Å; F43-I149 HydrophobicContact CD1-CG2 4.17Å; F43-I149 HydrophobicContact CE1-CB 4.18Å; F43-I149 HydrophobicContact CE1-CD1 3.68Å; F43-I149 HydrophobicContact CE1-CG1 4.48Å; F43-I149 HydrophobicContact CE1-CG2 4.34Å; F43-I149 HydrophobicContact CZ-CD1 4.25Å; I44-I149 PolarHBondContact N-O 3.1Å; I149-V151 HydrophobicContact CG2-CG2 4.3Å; I149-F175 WeakPolarHBondContact CA-O 3.35Å; I149-F175 HydrophobicContact CG1-CB 4.26Å; I149-I177 HydrophobicContact CG2-CD1 3.64Å; I149-I177 HydrophobicContact CG2-CG1 4.3Å; I149-F215 HydrophobicContact CD1-CD1 3.66Å; I149-F215 HydrophobicContact CD1-CE1 3.74Å; I149-F215 HydrophobicContact CD1-CG 4.2Å; I149-F215 HydrophobicContact CD1-CZ 4.38Å; I149-F215 HydrophobicContact CG1-CD1 4.41Å; I149-F215 HydrophobicContact CG1-CE1 4.02Å; I149-F215 HydrophobicContact CG2-CZ 4.39Å; I149-F219 HydrophobicContact CD1-CE2 3.85Å; I149-F219 HydrophobicContact CD1-CZ 3.93Å
150	I	95.9	Very high	88.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.2	178.4	-53.7	178.1	0	0	0	108.4	I44 T119 I123 I174 F175 I177 M190	I44-I150 HydrophobicContact CB-CG1 4.21Å; I44-I150 HydrophobicContact CD1-CG1 4.15Å; I44-I150 WeakPolarHBondContact O-CA 3.34Å; T119-I150 HydrophobicContact CG2-CG2 4.25Å; I123-I150 HydrophobicContact CD1-CD1 3.78Å; I123-I150 HydrophobicContact CG1-CD1 3.76Å; I150-I174 HydrophobicContact CD1-CG2 3.54Å; I150-I174 HydrophobicContact CG1-CG2 4.03Å; I150-F175 PolarHBondContact N-O 3.16Å; I150-I177 PolarHBondContact O-N 3.07Å; I150-M190 HydrophobicContact CD1-CB 4.32Å; I150-M190 HydrophobicContact CD1-SD 4.3Å
151	V	94.6	Very high	89.1	Confident	1 Å²	1	46 Å²	46	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122	174.1	-174.8	0	0	0	0	108.5	I44 D46 V59 F62 I149 I177 V179 Y205 I208	I44-V151 PolarHBondContact O-N 2.59Å; D46-V151 WeakPolarHBondContact CB-O 3.36Å; D46-V151 PolarHBondContact N-O 3.09Å; V59-V151 HydrophobicContact CG1-CG1 4.46Å; V59-V151 HydrophobicContact CG2-CG1 4.49Å; F62-V151 HydrophobicContact CE1-CG2 4.12Å; I149-V151 HydrophobicContact CG2-CG2 4.3Å; V151-I177 HydrophobicContact CG2-CB 4.43Å; V151-I177 HydrophobicContact CG2-CD1 4.23Å; V151-V179 HydrophobicContact CG1-CG2 4.23Å; V151-Y205 HydrophobicContact CG1-CE1 4.42Å; V151-I208 HydrophobicContact CG1-CD1 3.79Å
152	T	92.8	Very high	89.7	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.5	-179.5	-176.1	0	0	0	0	112.5	D46 G154 I177 G178 V179 V182 L187 M190	D46-T152 WeakPolarHBondContact OD2-CB 3.18Å; D46-T152 PolarHBondContact OD2-OG1 2.81Å; T152-G154 PolarHBondContact OG1-N 2.8Å; T152-I177 PolarHBondContact N-O 2.83Å; T152-G178 WeakPolarHBondContact O-CA 3.48Å; T152-V179 PolarHBondContact O-N 3.07Å; T152-V182 HydrophobicContact CG2-CG2 4.48Å; T152-L187 HydrophobicContact CG2-CD2 3.99Å; T152-M190 HydrophobicContact CG2-CE 4.48Å
153	D	84.4	Confident	90.8	Very high	21 Å²	21	43.2 Å²	43.2	11%	0.112	22%	0.215	C	C	.	.	S	Bend	trans	-108.7	-1.6	173.2	72.5	-17.1	0	0	0	114	S50 V51 V179 Y205	S50-D153 VanDerWaalsContact CB-OD2 3.24Å; S50-D153 WeakPolarHBondContact CB-OD2 3.32Å; S50-D153 PolarHBondContact OG-OD1 3.49Å; S50-D153 PolarHBondContact OG-OD2 3.07Å; V51-D153 HydrophobicContact CG2-CB 4.5Å; V51-D153 VanDerWaalsContact CG2-CG 3.49Å; V51-D153 WeakPolarHBondContact CG2-OD1 3.34Å; V51-D153 WeakPolarHBondContact CG2-OD2 3.46Å; V51-D153 PolarHBondContact N-OD2 2.88Å; D153-V179 WeakPolarHBondContact CA-O 2.89Å; D153-V179 HydrophobicContact CB-CB 4.44Å; D153-V179 WeakPolarHBondContact CB-O 3.42Å; D153-Y205 HydrophobicContact CB-CE2 4.02Å; D153-Y205 WeakPolarHBondContact CB-OH 3.28Å
154	G	72.6	Confident	91.8	Very high	11 Å²	11	38.2 Å²	38.2	11%	0.113	19%	0.188	C	C	.	.	S	Bend	trans	-124	166	-164	0	0	0	0	0	113.7	T152	T152-G154 PolarHBondContact OG1-N 2.8Å
155	R	84.9	Confident	92.4	Very high	184 Å²	184	40.9 Å²	40.9	69%	0.694	20%	0.199	S	C	*	.			trans	-81.8	129.1	165.2	-69.5	-177.1	-179.5	176.3	-1.6	108.7	D183	R155-D183 HydrophobicContact CG-CB 4.32Å
156	P	90.1	Very high	92.8	Very high	30 Å²	30	45.5 Å²	45.5	20%	0.195	21%	0.213	C	C	.	.			trans	-62.5	146.8	177	28.3	-35.2	0	0	0	110.6	V160 T186	P156-V160 HydrophobicContact CB-CG1 3.73Å; P156-V160 HydrophobicContact CG-CG1 3.75Å; P156-V160 HydrophobicContact CG-CG2 4.46Å; P156-T186 HydrophobicContact CG-CG2 3.49Å; P156-T186 VanDerWaalsContact CG-CG2 3.49Å
157	Q	90.8	Very high	92.9	Very high	124 Å²	124	44.5 Å²	44.5	58%	0.579	21%	0.209	S	C	*	.	S	Bend	trans	-94.5	-0.1	176.6	-63.4	175.8	-3.6	0	0	112.1	T117 M118	T117-Q157 PolarHBondContact O-N 2.88Å; M118-Q157 HydrophobicContact CE-CB 4.47Å; M118-Q157 HydrophobicContact SD-CB 4.03Å
158	D	94.1	Very high	93	Very high	39 Å²	39	47 Å²	47	21%	0.209	22%	0.218	C	C	.	.	S	Bend	trans	-132.4	170.6	179.3	60.5	-7.6	0	0	0	111.8	M118 T119 G120 S121 V160	M118-D158 HydrophobicContact SD-CB 4.02Å; T119-D158 PolarHBondContact N-OD1 3.21Å; T119-D158 VanDerWaalsContact N-OD1 3.12Å; G120-D158 WeakPolarHBondContact CA-OD2 3.41Å; G120-D158 PolarHBondContact N-OD1 3.48Å; G120-D158 PolarHBondContact N-OD2 2.93Å; S121-D158 WeakPolarHBondContact CB-OD2 3.32Å; S121-D158 PolarHBondContact N-OD2 2.77Å; S121-D158 PolarHBondContact OG-OD2 3.35Å; D158-V160 PolarHBondContact O-N 2.88Å
159	N	93.7	Very high	92.9	Very high	95 Å²	95	51.7 Å²	51.7	51%	0.508	24%	0.243	S	C	.	.			trans	-77.6	120.6	-178.5	180	-0.6	0	0	0	110.9	K161 D162	N159-K161 PolarHBondContact OD1-N 3.12Å; N159-D162 PolarHBondContact ND2-OD2 3.01Å
160	V	95.4	Very high	92.8	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.03	26%	0.257	C	S	.	.			trans	-96.9	-24.2	178.9	-62.4	0	0	0	0	113.9	T119 I123 P156 D158 V163 A164 T186 Q189 M190	T119-V160 HydrophobicContact CG2-CG1 4.2Å; I123-V160 HydrophobicContact CD1-CB 4.49Å; P156-V160 HydrophobicContact CB-CG1 3.73Å; P156-V160 HydrophobicContact CG-CG1 3.75Å; P156-V160 HydrophobicContact CG-CG2 4.46Å; D158-V160 PolarHBondContact O-N 2.88Å; V160-V163 VanDerWaalsContact O-CG1 3.3Å; V160-V163 WeakPolarHBondContact O-CG1 3.33Å; V160-A164 WeakPolarHBondContact O-CB 2.82Å; V160-A164 PolarHBondContact O-N 3.22Å; V160-T186 HydrophobicContact CG2-CG2 3.9Å; V160-Q189 HydrophobicContact CG2-CB 4.5Å; V160-M190 HydrophobicContact CB-CG 3.76Å; V160-M190 HydrophobicContact CB-SD 4.01Å; V160-M190 HydrophobicContact CG1-CG 4.38Å; V160-M190 HydrophobicContact CG1-SD 3.96Å; V160-M190 HydrophobicContact CG2-CG 3.81Å; V160-M190 HydrophobicContact CG2-SD 4.31Å
161	K	94.8	Very high	92.5	Very high	117 Å²	117	55.4 Å²	55.4	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-52.7	-169	-176.9	-177.3	177.1	-176.1	0	112.1	N159 V163 A164 Q165 Q189	N159-K161 PolarHBondContact OD1-N 3.12Å; K161-V163 VanDerWaalsContact C-N 3.34Å; K161-V163 PolarHBondContact O-N 2.85Å; K161-A164 PolarHBondContact O-N 3.07Å; K161-Q165 WeakPolarHBondContact O-CB 3.31Å; K161-Q165 PolarHBondContact O-N 2.75Å; K161-Q189 HydrophobicContact CB-CB 4.49Å
162	D	95.1	Very high	92.5	Very high	90 Å²	90	55.7 Å²	55.7	48%	0.481	28%	0.279	S	S	.	.	H	α-helix	trans	-72.2	-31.7	-172.2	-58.5	-32.9	0	0	0	112.2	N159 R166	N159-D162 PolarHBondContact ND2-OD2 3.01Å; D162-R166 WeakPolarHBondContact O-CG 3.3Å; D162-R166 PolarHBondContact O-N 3.43Å; D162-R166 PolarHBondContact O-NE 3.04Å
163	V	97.3	Very high	92.6	Very high	6 Å²	6	58.7 Å²	58.7	4%	0.036	29%	0.292	C	S	.	.	H	α-helix	trans	-78	-38.1	177.1	65.4	0	0	0	0	111.9	I123 Q124 V160 K161 Q165 R166 A167	I123-V163 HydrophobicContact CB-CG1 4.08Å; I123-V163 HydrophobicContact CB-CG2 4.15Å; I123-V163 HydrophobicContact CD1-CG1 4.37Å; I123-V163 HydrophobicContact CG2-CG1 4.2Å; I123-V163 HydrophobicContact CG2-CG2 3.91Å; Q124-V163 HydrophobicContact CB-CG2 3.72Å; Q124-V163 HydrophobicContact CG-CG2 4.45Å; V160-V163 VanDerWaalsContact O-CG1 3.3Å; V160-V163 WeakPolarHBondContact O-CG1 3.33Å; K161-V163 VanDerWaalsContact C-N 3.34Å; K161-V163 PolarHBondContact O-N 2.85Å; V163-Q165 VanDerWaalsContact C-N 3.33Å; V163-R166 PolarHBondContact O-N 3.38Å; V163-A167 PolarHBondContact O-N 3.19Å
164	A	97.5	Very high	93.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-41.1	172.8	0	0	0	0	0	111.1	I123 V160 K161 R166 A167 R168 I174 M190	I123-A164 HydrophobicContact CD1-CB 4.38Å; V160-A164 WeakPolarHBondContact O-CB 2.82Å; V160-A164 PolarHBondContact O-N 3.22Å; K161-A164 PolarHBondContact O-N 3.07Å; A164-R166 PolarHBondContact O-N 3.21Å; A164-A167 PolarHBondContact O-N 2.82Å; A164-R168 WeakPolarHBondContact O-CG 3.44Å; A164-R168 PolarHBondContact O-N 3.43Å; A164-I174 HydrophobicContact CB-CD1 4.37Å; A164-M190 HydrophobicContact CB-CB 4.47Å
165	Q	96.9	Very high	94.1	Very high	82 Å²	82	58 Å²	58	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-58.1	-48.8	173.6	-172.9	61.2	47.5	0	0	111.6	K161 V163 A167 R168 D169	K161-Q165 WeakPolarHBondContact O-CB 3.31Å; K161-Q165 PolarHBondContact O-N 2.75Å; V163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-A167 VanDerWaalsContact C-N 3.27Å; Q165-A167 PolarHBondContact O-N 2.83Å; Q165-R168 PolarHBondContact O-N 3Å; Q165-R168 VanDerWaalsContact O-N 3.14Å; Q165-D169 PolarHBondContact NE2-OD1 2.93Å; Q165-D169 PolarHBondContact O-N 2.92Å
166	R	97.6	Very high	94.5	Very high	119 Å²	119	49.2 Å²	49.2	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-35.8	176.9	-76.4	-175.5	-69.9	141.6	0.4	113.2	L127 D162 V163 A164 A170	L127-R166 HydrophobicContact CD2-CB 4.06Å; D162-R166 WeakPolarHBondContact O-CG 3.3Å; D162-R166 PolarHBondContact O-N 3.43Å; D162-R166 PolarHBondContact O-NE 3.04Å; V163-R166 PolarHBondContact O-N 3.38Å; A164-R166 PolarHBondContact O-N 3.21Å; R166-A170 WeakPolarHBondContact O-CB 3.42Å; R166-A170 PolarHBondContact O-N 3.05Å
167	A	97.2	Very high	94.7	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-42.7	175	0	0	0	0	0	111.9	I123 V163 A164 Q165 A170 G171 I172 I174	I123-A167 HydrophobicContact CG2-CB 4.1Å; V163-A167 PolarHBondContact O-N 3.19Å; A164-A167 PolarHBondContact O-N 2.82Å; Q165-A167 VanDerWaalsContact C-N 3.27Å; Q165-A167 PolarHBondContact O-N 2.83Å; A167-A170 WeakPolarHBondContact O-CB 3.49Å; A167-A170 PolarHBondContact O-N 2.86Å; A167-G171 PolarHBondContact O-N 2.73Å; A167-I172 HydrophobicContact CB-CD1 4.24Å; A167-I172 VanDerWaalsContact O-CB 3.3Å; A167-I172 WeakPolarHBondContact O-CB 3.4Å; A167-I172 PolarHBondContact O-N 2.98Å; A167-I174 HydrophobicContact CB-CD1 3.84Å
168	R	95.5	Very high	94.7	Very high	53 Å²	53	41.9 Å²	41.9	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-44.7	173.5	-67.8	-173.4	-61.8	-98.6	0.9	112.3	A164 Q165 A170 G171 I172 I174 Q189 M190 A191	A164-R168 WeakPolarHBondContact O-CG 3.44Å; A164-R168 PolarHBondContact O-N 3.43Å; Q165-R168 PolarHBondContact O-N 3Å; Q165-R168 VanDerWaalsContact O-N 3.14Å; R168-A170 PolarHBondContact O-N 3.48Å; R168-G171 WeakPolarHBondContact O-CA 3.35Å; R168-G171 PolarHBondContact O-N 2.85Å; R168-I172 WeakPolarHBondContact CA-O 3.38Å; R168-I174 HydrophobicContact CG-CD1 4.03Å; R168-I174 HydrophobicContact CG-CG1 4.39Å; R168-Q189 PolarHBondContact NH1-O 3.26Å; R168-M190 PolarHBondContact NH1-O 3.38Å; R168-A191 PolarHBondContact NH1-O 3.21Å
169	D	94.1	Very high	94.5	Very high	103 Å²	103	40 Å²	40	55%	0.551	21%	0.205	S	C	*	.	H	α-helix	trans	-62.7	-30.9	176.8	-62.5	-20.1	0	0	0	111.9	Q165 G171	Q165-D169 PolarHBondContact NE2-OD1 2.93Å; Q165-D169 PolarHBondContact O-N 2.92Å; D169-G171 PolarHBondContact O-N 3.14Å
170	A	93.2	Very high	94.1	Very high	36 Å²	36	36.4 Å²	36.4	30%	0.298	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.6	172.3	0	0	0	0	0	113	L127 K140 R166 A167 R168	L127-A170 HydrophobicContact CD1-CB 3.68Å; K140-A170 WeakPolarHBondContact CE-O 3.28Å; K140-A170 PolarHBondContact NZ-O 3.41Å; K140-A170 VanDerWaalsContact NZ-O 3.15Å; R166-A170 WeakPolarHBondContact O-CB 3.42Å; R166-A170 PolarHBondContact O-N 3.05Å; A167-A170 WeakPolarHBondContact O-CB 3.49Å; A167-A170 PolarHBondContact O-N 2.86Å; R168-A170 PolarHBondContact O-N 3.48Å
171	G	90.3	Very high	93.2	Very high	42 Å²	42	47.7 Å²	47.7	43%	0.433	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	23.3	-177.3	0	0	0	0	0	113.1	A167 R168 D169	A167-G171 PolarHBondContact O-N 2.73Å; R168-G171 WeakPolarHBondContact O-CA 3.35Å; R168-G171 PolarHBondContact O-N 2.85Å; D169-G171 PolarHBondContact O-N 3.14Å
172	I	94.9	Very high	92.6	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.5	173	-55.7	166.9	0	0	0	108	L127 F131 K146 A148 A167 R168 I174	L127-I172 HydrophobicContact CD1-CD1 3.76Å; F131-I172 HydrophobicContact CB-CD1 4.35Å; F131-I172 HydrophobicContact CD2-CD1 3.58Å; F131-I172 HydrophobicContact CD2-CG1 4.28Å; F131-I172 HydrophobicContact CD2-CG2 4.49Å; F131-I172 HydrophobicContact CE2-CD1 3.98Å; F131-I172 HydrophobicContact CE2-CG1 4.38Å; F131-I172 HydrophobicContact CE2-CG2 3.8Å; F131-I172 HydrophobicContact CG-CD1 3.98Å; F131-I172 HydrophobicContact CG-CG1 4.44Å; F131-I172 HydrophobicContact CZ-CG2 3.85Å; K146-I172 HydrophobicContact CB-CG1 4.21Å; K146-I172 WeakPolarHBondContact O-CA 3.44Å; A148-I172 HydrophobicContact CB-CG2 3.84Å; A167-I172 HydrophobicContact CB-CD1 4.24Å; A167-I172 VanDerWaalsContact O-CB 3.3Å; A167-I172 WeakPolarHBondContact O-CB 3.4Å; A167-I172 PolarHBondContact O-N 2.98Å; R168-I172 WeakPolarHBondContact CA-O 3.38Å; I172-I174 HydrophobicContact CG2-CG1 4.32Å
173	E	93.7	Very high	92.1	Very high	66 Å²	66	41 Å²	41	31%	0.308	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.7	172.8	-172.5	172.5	-146.9	0	0	109.6	K146 V147 A148 F175 H198	K146-E173 PolarHBondContact O-N 3.3Å; V147-E173 CarbonylContact C-O 3.38Å; V147-E173 WeakPolarHBondContact CA-O 3.29Å; V147-E173 HydrophobicContact CG2-CB 4.34Å; A148-E173 PolarHBondContact N-O 3.18Å; E173-F175 HydrophobicContact CG-CE2 3.85Å; E173-F175 HydrophobicContact CG-CZ 4.46Å; E173-H198 WeakPolarHBondContact CG-NE2 3.41Å; E173-H198 IonicContact OE1-CE1 2.73Å; E173-H198 IonicContact OE1-NE2 3.55Å; E173-H198 PolarHBondContact OE1-NE2 3.34Å; E173-H198 VanDerWaalsContact OE1-NE2 3.12Å
174	I	95.4	Very high	91.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120	-171.9	-54.3	177.8	0	0	0	109.9	A148 I150 A164 A167 R168 I172 M190 A191 S192	A148-I174 HydrophobicContact CB-CG1 4.42Å; A148-I174 WeakPolarHBondContact O-CA 3.46Å; I150-I174 HydrophobicContact CD1-CG2 3.54Å; I150-I174 HydrophobicContact CG1-CG2 4.03Å; A164-I174 HydrophobicContact CB-CD1 4.37Å; A167-I174 HydrophobicContact CB-CD1 3.84Å; R168-I174 HydrophobicContact CG-CD1 4.03Å; R168-I174 HydrophobicContact CG-CG1 4.39Å; I172-I174 HydrophobicContact CG2-CG1 4.32Å; I174-M190 WeakPolarHBondContact CD1-O 3.41Å; I174-M190 WeakPolarHBondContact CG2-O 3.43Å; I174-A191 WeakPolarHBondContact O-CA 3.34Å; I174-S192 PolarHBondContact N-OG 3.46Å; I174-S192 PolarHBondContact O-N 3.25Å
175	F	93.9	Very high	91.1	Very high	15 Å²	15	48.7 Å²	48.7	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.4	167.4	-67	-96.6	0	0	0	109.2	V147 A148 I149 I150 E173 H198 F215	V147-F175 HydrophobicContact CG1-CD2 3.67Å; V147-F175 HydrophobicContact CG1-CE2 3.73Å; A148-F175 PolarHBondContact O-N 2.93Å; I149-F175 WeakPolarHBondContact CA-O 3.35Å; I149-F175 HydrophobicContact CG1-CB 4.26Å; I150-F175 PolarHBondContact N-O 3.16Å; E173-F175 HydrophobicContact CG-CE2 3.85Å; E173-F175 HydrophobicContact CG-CZ 4.46Å; F175-H198 CarbonylContact C-O 3.39Å; F175-H198 WeakPolarHBondContact CA-O 3.37Å; F175-H198 HydrophobicContact CD1-CB 4.38Å; F175-H198 AromaticContact CD1-CD2 3.81Å; F175-H198 AromaticContact CE1-CD2 3.51Å; F175-H198 AromaticContact CE1-NE2 4Å; F175-H198 AromaticContact CE2-CD2 3.79Å; F175-H198 AromaticContact CZ-CD2 3.5Å; F175-H198 VanDerWaalsContact CZ-CD2 3.5Å; F175-H198 WeakPolarHBondContact CZ-CD2 3.45Å; F175-H198 AromaticContact CZ-NE2 3.63Å; F175-F215 HydrophobicContact CB-CE1 3.83Å; F175-F215 HydrophobicContact CB-CZ 4.03Å; F175-F215 AromaticContact CD1-CE1 3.66Å; F175-F215 HydrophobicContact CD1-CE1 3.66Å; F175-F215 HydrophobicContact CD1-CZ 4.17Å; F175-F215 HydrophobicContact CD2-CE1 4.33Å; F175-F215 HydrophobicContact CE1-CE1 4.33Å; F175-F215 AromaticContact CG-CE1 3.67Å; F175-F215 HydrophobicContact CG-CE1 3.67Å; F175-F215 HydrophobicContact CG-CZ 4.27Å
176	A	94.1	Very high	90.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.2	-179.5	0	0	0	0	0	110.5	L187 M190 A191 H198 V199 D200	A176-L187 HydrophobicContact CB-CB 4.28Å; A176-L187 HydrophobicContact CB-CD2 3.97Å; A176-M190 HydrophobicContact CB-CB 4.4Å; A176-A191 HydrophobicContact CB-CB 4.05Å; A176-H198 PolarHBondContact N-O 2.88Å; A176-V199 WeakPolarHBondContact O-CA 3.11Å; A176-D200 PolarHBondContact O-N 3.06Å
177	I	92.8	Very high	90.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.1	179.6	-53.2	175.4	0	0	0	108.9	F62 I149 I150 V151 T152 V179 D200 I208 L211 F215	F62-I177 HydrophobicContact CE1-CD1 4.07Å; F62-I177 HydrophobicContact CZ-CD1 3.78Å; I149-I177 HydrophobicContact CG2-CD1 3.64Å; I149-I177 HydrophobicContact CG2-CG1 4.3Å; I150-I177 PolarHBondContact O-N 3.07Å; V151-I177 HydrophobicContact CG2-CB 4.43Å; V151-I177 HydrophobicContact CG2-CD1 4.23Å; T152-I177 PolarHBondContact N-O 2.83Å; I177-V179 HydrophobicContact CG2-CG2 4.47Å; I177-D200 WeakPolarHBondContact CA-O 3.23Å; I177-D200 HydrophobicContact CG1-CB 4.43Å; I177-I208 HydrophobicContact CG2-CD1 4.42Å; I177-I208 HydrophobicContact CG2-CG1 4.42Å; I177-L211 HydrophobicContact CD1-CD1 4.03Å; I177-L211 HydrophobicContact CG1-CD1 4.25Å; I177-L211 HydrophobicContact CG2-CD1 3.5Å; I177-L211 VanDerWaalsContact CG2-CD1 3.5Å; I177-F215 HydrophobicContact CD1-CD2 4.48Å; I177-F215 HydrophobicContact CD1-CE2 3.42Å; I177-F215 VanDerWaalsContact CD1-CE2 3.42Å; I177-F215 HydrophobicContact CD1-CZ 3.69Å; I177-F215 HydrophobicContact CG1-CE2 4.22Å; I177-F215 HydrophobicContact CG1-CZ 4.14Å
178	G	91.8	Very high	90.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135	172.5	0	0	0	0	0	112.7	T152 D200 Y201 V202	T152-G178 WeakPolarHBondContact O-CA 3.48Å; G178-D200 PolarHBondContact N-O 3.35Å; G178-Y201 WeakPolarHBondContact O-CA 3.11Å; G178-V202 PolarHBondContact O-N 3.34Å
179	V	89.6	Confident	90.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.1	176.9	-172	0	0	0	0	111	V151 T152 D153 I177 R181 V202 S204 Y205 I208	V151-V179 HydrophobicContact CG1-CG2 4.23Å; T152-V179 PolarHBondContact O-N 3.07Å; D153-V179 WeakPolarHBondContact CA-O 2.89Å; D153-V179 HydrophobicContact CB-CB 4.44Å; D153-V179 WeakPolarHBondContact CB-O 3.42Å; I177-V179 HydrophobicContact CG2-CG2 4.47Å; V179-R181 PolarHBondContact O-N 2.7Å; V179-V202 CarbonylContact C-O 3.55Å; V179-V202 WeakPolarHBondContact CA-O 3.43Å; V179-V202 HydrophobicContact CB-CG2 4.18Å; V179-V202 HydrophobicContact CG1-CG2 4.03Å; V179-V202 HydrophobicContact CG2-CG2 3.74Å; V179-S204 VanDerWaalsContact CG1-C 3.46Å; V179-Y205 HydrophobicContact CB-CD1 4.29Å; V179-Y205 HydrophobicContact CB-CD2 4.34Å; V179-Y205 HydrophobicContact CB-CE1 3.96Å; V179-Y205 HydrophobicContact CB-CE2 4.05Å; V179-Y205 HydrophobicContact CB-CG 4.48Å; V179-Y205 HydrophobicContact CG1-CD1 3.79Å; V179-Y205 HydrophobicContact CG1-CD2 3.46Å; V179-Y205 VanDerWaalsContact CG1-CD2 3.46Å; V179-Y205 HydrophobicContact CG1-CE1 3.93Å; V179-Y205 HydrophobicContact CG1-CE2 3.64Å; V179-Y205 HydrophobicContact CG1-CG 3.57Å; V179-Y205 VanDerWaalsContact CG1-N 3.32Å; V179-Y205 HydrophobicContact CG2-CD1 4.06Å; V179-Y205 HydrophobicContact CG2-CE1 3.74Å; V179-I208 HydrophobicContact CG2-CD1 3.87Å
180	G	84.1	Confident	90.2	Very high	20 Å²	20	42.6 Å²	42.6	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	68.2	-129.8	176.6	0	0	0	0	0	112.3	V182 Y201 V202 E203	G180-V182 PolarHBondContact O-N 3.36Å; G180-Y201 WeakPolarHBondContact O-CE2 2.99Å; G180-Y201 PolarHBondContact O-OH 3.41Å; G180-V202 PolarHBondContact N-O 3.49Å; G180-E203 WeakPolarHBondContact CA-O 3.33Å
181	R	76.8	Confident	90.2	Very high	242 Å²	242	41 Å²	41	91%	0.913	21%	0.205	S	C	*	.	S	Bend	trans	-92.9	73.4	-173.2	-69	-173.9	179.5	177.5	0.3	112.3	V179	V179-R181 PolarHBondContact O-N 2.7Å
182	V	82	Confident	90.3	Very high	22 Å²	22	39.6 Å²	39.6	13%	0.133	19%	0.189	C	C	.	.			trans	-98.5	153.5	178.3	77.9	0	0	0	0	112.2	T152 G180 L187 Y201	T152-V182 HydrophobicContact CG2-CG2 4.48Å; G180-V182 PolarHBondContact O-N 3.36Å; V182-L187 HydrophobicContact CB-CD1 4.33Å; V182-L187 HydrophobicContact CG1-CD1 3.53Å; V182-L187 HydrophobicContact CG1-CG 4.46Å; V182-L187 HydrophobicContact CG2-CD1 3.88Å; V182-L187 HydrophobicContact CG2-CD2 4.14Å; V182-L187 HydrophobicContact CG2-CG 3.94Å; V182-Y201 HydrophobicContact CG1-CD2 3.61Å; V182-Y201 HydrophobicContact CG1-CE2 3.81Å
183	D	84.8	Confident	89.8	Confident	45 Å²	45	46 Å²	46	24%	0.241	22%	0.219	C	C	.	.			trans	-86.5	110.7	168.6	171.6	30.1	0	0	0	110.7	R155 T185 T186 L187	R155-D183 HydrophobicContact CG-CB 4.32Å; D183-T185 PolarHBondContact O-N 3.3Å; D183-T185 VanDerWaalsContact OD1-CB 3.29Å; D183-T185 WeakPolarHBondContact OD1-CB 3.31Å; D183-T185 PolarHBondContact OD1-N 3.12Å; D183-T185 PolarHBondContact OD1-OG1 2.87Å; D183-T186 WeakPolarHBondContact O-CB 3.31Å; D183-T186 PolarHBondContact O-N 3.23Å; D183-T186 VanDerWaalsContact O-N 3.1Å; D183-T186 PolarHBondContact OD2-N 3.42Å; D183-T186 PolarHBondContact OD2-OG1 3.3Å; D183-L187 PolarHBondContact O-N 3.1Å
184	L	85.6	Confident	89.5	Confident	83 Å²	83	46 Å²	46	44%	0.435	22%	0.224	S	C	.	.	H	α-helix	trans	-57.8	-30.7	177.7	-68.9	174.7	0	0	0	112.7	T186 L187 R188 Y201	L184-T186 VanDerWaalsContact C-N 3.3Å; L184-T186 PolarHBondContact O-N 2.96Å; L184-L187 HydrophobicContact CD2-CD1 4.17Å; L184-L187 PolarHBondContact O-N 3.06Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 VanDerWaalsContact O-CG 3.29Å; L184-R188 WeakPolarHBondContact O-CG 3.38Å; L184-R188 PolarHBondContact O-N 2.99Å; L184-Y201 HydrophobicContact CD2-CD2 4.29Å; L184-Y201 HydrophobicContact CD2-CG 4.45Å
185	T	88.6	Confident	88.9	Confident	84 Å²	84	47.8 Å²	47.8	52%	0.515	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-42.9	177.9	-44.2	0	0	0	0	110.6	D183 R188 Q189	D183-T185 PolarHBondContact O-N 3.3Å; D183-T185 VanDerWaalsContact OD1-CB 3.29Å; D183-T185 WeakPolarHBondContact OD1-CB 3.31Å; D183-T185 PolarHBondContact OD1-N 3.12Å; D183-T185 PolarHBondContact OD1-OG1 2.87Å; T185-R188 PolarHBondContact O-N 3.4Å; T185-Q189 WeakPolarHBondContact O-CG 3.45Å; T185-Q189 PolarHBondContact O-N 3.15Å
186	T	89.8	Confident	88.2	Confident	20 Å²	20	53.8 Å²	53.8	12%	0.123	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-42.7	178.1	-62	0	0	0	0	111.5	P156 V160 D183 L184 R188 Q189 M190	P156-T186 HydrophobicContact CG-CG2 3.49Å; P156-T186 VanDerWaalsContact CG-CG2 3.49Å; V160-T186 HydrophobicContact CG2-CG2 3.9Å; D183-T186 WeakPolarHBondContact O-CB 3.31Å; D183-T186 PolarHBondContact O-N 3.23Å; D183-T186 VanDerWaalsContact O-N 3.1Å; D183-T186 PolarHBondContact OD2-N 3.42Å; D183-T186 PolarHBondContact OD2-OG1 3.3Å; L184-T186 VanDerWaalsContact C-N 3.3Å; L184-T186 PolarHBondContact O-N 2.96Å; T186-R188 VanDerWaalsContact C-N 3.32Å; T186-R188 PolarHBondContact O-N 2.88Å; T186-Q189 WeakPolarHBondContact O-CB 3.48Å; T186-Q189 PolarHBondContact O-N 2.79Å; T186-Q189 VanDerWaalsContact O-N 3.16Å; T186-M190 HydrophobicContact CG2-CE 4.39Å; T186-M190 PolarHBondContact O-N 3.33Å
187	L	91.6	Very high	87.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-44	175.7	-69.4	171.6	0	0	0	112	T152 A176 V182 D183 L184 Q189 M190 A191 V199	T152-L187 HydrophobicContact CG2-CD2 3.99Å; A176-L187 HydrophobicContact CB-CB 4.28Å; A176-L187 HydrophobicContact CB-CD2 3.97Å; V182-L187 HydrophobicContact CB-CD1 4.33Å; V182-L187 HydrophobicContact CG1-CD1 3.53Å; V182-L187 HydrophobicContact CG1-CG 4.46Å; V182-L187 HydrophobicContact CG2-CD1 3.88Å; V182-L187 HydrophobicContact CG2-CD2 4.14Å; V182-L187 HydrophobicContact CG2-CG 3.94Å; D183-L187 PolarHBondContact O-N 3.1Å; L184-L187 HydrophobicContact CD2-CD1 4.17Å; L184-L187 PolarHBondContact O-N 3.06Å; L187-Q189 VanDerWaalsContact C-N 3.27Å; L187-Q189 PolarHBondContact O-N 2.61Å; L187-M190 HydrophobicContact CD2-CE 3.7Å; L187-M190 HydrophobicContact CG-CE 4.48Å; L187-M190 PolarHBondContact O-N 2.76Å; L187-A191 PolarHBondContact O-N 3.42Å; L187-V199 HydrophobicContact CB-CG1 3.99Å; L187-V199 HydrophobicContact CD1-CG1 4.44Å
188	R	92.5	Very high	87.1	Confident	134 Å²	134	57.8 Å²	57.8	51%	0.506	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-31.8	176.8	-72.3	175.2	170.9	-178.3	-3.9	113.2	L184 T185 T186 M190 L195 V199	L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 VanDerWaalsContact O-CG 3.29Å; L184-R188 WeakPolarHBondContact O-CG 3.38Å; L184-R188 PolarHBondContact O-N 2.99Å; T185-R188 PolarHBondContact O-N 3.4Å; T186-R188 VanDerWaalsContact C-N 3.32Å; T186-R188 PolarHBondContact O-N 2.88Å; R188-M190 VanDerWaalsContact C-N 3.26Å; R188-M190 PolarHBondContact O-N 3.02Å; R188-L195 HydrophobicContact CB-CD1 4.05Å; R188-L195 HydrophobicContact CB-CD2 4.12Å; R188-L195 HydrophobicContact CG-CD1 3.92Å; R188-L195 HydrophobicContact CG-CD2 4.26Å; R188-V199 HydrophobicContact CG-CG2 4.11Å
189	Q	93.8	Very high	87	Confident	74 Å²	74	58.9 Å²	58.9	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-69.4	-26.1	175.3	-71.6	173.3	1.7	0	0	112.7	V160 K161 R168 T185 T186 L187	V160-Q189 HydrophobicContact CG2-CB 4.5Å; K161-Q189 HydrophobicContact CB-CB 4.49Å; R168-Q189 PolarHBondContact NH1-O 3.26Å; T185-Q189 WeakPolarHBondContact O-CG 3.45Å; T185-Q189 PolarHBondContact O-N 3.15Å; T186-Q189 WeakPolarHBondContact O-CB 3.48Å; T186-Q189 PolarHBondContact O-N 2.79Å; T186-Q189 VanDerWaalsContact O-N 3.16Å; L187-Q189 VanDerWaalsContact C-N 3.27Å; L187-Q189 PolarHBondContact O-N 2.61Å
190	M	94.6	Very high	86.9	Confident	2 Å²	2	60 Å²	60	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-85.7	-42.2	179.9	-64.7	-173.9	-67.1	0	0	113	T119 I123 I150 T152 V160 A164 R168 I174 A176 T186 L187 R188	T119-M190 HydrophobicContact CG2-SD 3.55Å; T119-M190 VanDerWaalsContact CG2-SD 3.55Å; I123-M190 HydrophobicContact CD1-CG 4.06Å; I123-M190 HydrophobicContact CD1-SD 3.92Å; I150-M190 HydrophobicContact CD1-CB 4.32Å; I150-M190 HydrophobicContact CD1-SD 4.3Å; T152-M190 HydrophobicContact CG2-CE 4.48Å; V160-M190 HydrophobicContact CB-CG 3.76Å; V160-M190 HydrophobicContact CB-SD 4.01Å; V160-M190 HydrophobicContact CG1-CG 4.38Å; V160-M190 HydrophobicContact CG1-SD 3.96Å; V160-M190 HydrophobicContact CG2-CG 3.81Å; V160-M190 HydrophobicContact CG2-SD 4.31Å; A164-M190 HydrophobicContact CB-CB 4.47Å; R168-M190 PolarHBondContact NH1-O 3.38Å; I174-M190 WeakPolarHBondContact CD1-O 3.41Å; I174-M190 WeakPolarHBondContact CG2-O 3.43Å; A176-M190 HydrophobicContact CB-CB 4.4Å; T186-M190 HydrophobicContact CG2-CE 4.39Å; T186-M190 PolarHBondContact O-N 3.33Å; L187-M190 HydrophobicContact CD2-CE 3.7Å; L187-M190 HydrophobicContact CG-CE 4.48Å; L187-M190 PolarHBondContact O-N 2.76Å; R188-M190 VanDerWaalsContact C-N 3.26Å; R188-M190 PolarHBondContact O-N 3.02Å
191	A	94.6	Very high	87.1	Confident	3 Å²	3	64.2 Å²	64.2	3%	0.025	31%	0.31	C	S	.	.	S	Bend	trans	-65.7	161.5	-173.8	0	0	0	0	0	114.1	R168 I174 A176 L187 L195 H198 V199	R168-A191 PolarHBondContact NH1-O 3.21Å; I174-A191 WeakPolarHBondContact O-CA 3.34Å; A176-A191 HydrophobicContact CB-CB 4.05Å; L187-A191 PolarHBondContact O-N 3.42Å; A191-L195 HydrophobicContact CB-CD2 4.13Å; A191-H198 HydrophobicContact CB-CB 3.93Å; A191-V199 HydrophobicContact CB-CG2 3.38Å
192	S	92.1	Very high	87.4	Confident	13 Å²	13	53.2 Å²	53.2	9%	0.091	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-80.4	162	167	-72.8	0	0	0	0	111.8	I174 H198	I174-S192 PolarHBondContact N-OG 3.46Å; I174-S192 PolarHBondContact O-N 3.25Å; S192-H198 WeakPolarHBondContact O-CB 3.07Å; S192-H198 PolarHBondContact O-ND1 3.19Å
193	E	84.1	Confident	87.5	Confident	142 Å²	142	59.6 Å²	59.6	66%	0.664	30%	0.298	S	S	*	.	S	Bend	trans	-84.3	148.5	169.6	-69.5	-67.1	169.4	0	0	110.8	L195 H198	E193-L195 PolarHBondContact OE2-N 2.85Å; E193-L195 VanDerWaalsContact OE2-N 3.11Å; E193-H198 PolarHBondContact O-CE1 2.97Å
194	P	87.3	Confident	87.3	Confident	66 Å²	66	59.5 Å²	59.5	43%	0.429	30%	0.301	S	S	.	.	S	Bend	cis	-74.7	139.3	-4.3	31	-35.2	0	0	0	112.1	D196 D197 H198	P194-D196 VanDerWaalsContact C-N 3.27Å; P194-D196 PolarHBondContact O-N 3.22Å; P194-D197 HydrophobicContact CG-CB 4.11Å; P194-D197 WeakPolarHBondContact CG-OD2 3.29Å; P194-D197 PolarHBondContact O-N 3.3Å; P194-D197 VanDerWaalsContact O-N 3.15Å; P194-H198 PolarHBondContact O-N 3.49Å; P194-H198 PolarHBondContact O-ND1 3.49Å
195	L	81.8	Confident	87	Confident	39 Å²	39	56 Å²	56	20%	0.204	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-31.9	-175.8	-67.5	174.7	0	0	0	114.3	R188 A191 E193 D197 H198 V199	R188-L195 HydrophobicContact CB-CD1 4.05Å; R188-L195 HydrophobicContact CB-CD2 4.12Å; R188-L195 HydrophobicContact CG-CD1 3.92Å; R188-L195 HydrophobicContact CG-CD2 4.26Å; A191-L195 HydrophobicContact CB-CD2 4.13Å; E193-L195 PolarHBondContact OE2-N 2.85Å; E193-L195 VanDerWaalsContact OE2-N 3.11Å; L195-D197 PolarHBondContact O-N 3.04Å; L195-H198 PolarHBondContact O-N 3.37Å; L195-V199 HydrophobicContact CB-CG2 4.44Å; L195-V199 HydrophobicContact CD2-CG2 4.04Å; L195-V199 WeakPolarHBondContact O-CB 3.49Å; L195-V199 PolarHBondContact O-N 2.91Å
196	D	79.1	Confident	86.2	Confident	141 Å²	141	55.7 Å²	55.7	75%	0.754	28%	0.284	S	S	*	.	H	α-helix	trans	-66.2	-25.7	-179.4	-68.2	-23	0	0	0	112.3	P194	P194-D196 VanDerWaalsContact C-N 3.27Å; P194-D196 PolarHBondContact O-N 3.22Å
197	D	79.1	Confident	85.6	Confident	76 Å²	76	56.7 Å²	56.7	41%	0.406	29%	0.29	S	S	.	.	H	α-helix	trans	-86.9	-32.1	176.3	-66.3	-19.7	0	0	0	111.7	P194 L195 K214	P194-D197 HydrophobicContact CG-CB 4.11Å; P194-D197 WeakPolarHBondContact CG-OD2 3.29Å; P194-D197 PolarHBondContact O-N 3.3Å; P194-D197 VanDerWaalsContact O-N 3.15Å; L195-D197 PolarHBondContact O-N 3.04Å; D197-K214 WeakPolarHBondContact O-CE 3.24Å; D197-K214 PolarHBondContact O-NZ 3.4Å
198	H	86.6	Confident	84.8	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-104.9	-8.3	-167.1	-66.9	90	0	0	0	115.5	E173 F175 A176 A191 S192 E193 P194 L195	E173-H198 WeakPolarHBondContact CG-NE2 3.41Å; E173-H198 IonicContact OE1-CE1 2.73Å; E173-H198 IonicContact OE1-NE2 3.55Å; E173-H198 PolarHBondContact OE1-NE2 3.34Å; E173-H198 VanDerWaalsContact OE1-NE2 3.12Å; F175-H198 CarbonylContact C-O 3.39Å; F175-H198 WeakPolarHBondContact CA-O 3.37Å; F175-H198 HydrophobicContact CD1-CB 4.38Å; F175-H198 AromaticContact CD1-CD2 3.81Å; F175-H198 AromaticContact CE1-CD2 3.51Å; F175-H198 AromaticContact CE1-NE2 4Å; F175-H198 AromaticContact CE2-CD2 3.79Å; F175-H198 AromaticContact CZ-CD2 3.5Å; F175-H198 VanDerWaalsContact CZ-CD2 3.5Å; F175-H198 WeakPolarHBondContact CZ-CD2 3.45Å; F175-H198 AromaticContact CZ-NE2 3.63Å; A176-H198 PolarHBondContact N-O 2.88Å; A191-H198 HydrophobicContact CB-CB 3.93Å; S192-H198 WeakPolarHBondContact O-CB 3.07Å; S192-H198 PolarHBondContact O-ND1 3.19Å; E193-H198 PolarHBondContact O-CE1 2.97Å; P194-H198 PolarHBondContact O-N 3.49Å; P194-H198 PolarHBondContact O-ND1 3.49Å; L195-H198 PolarHBondContact O-N 3.37Å
199	V	88.4	Confident	83.6	Confident	23 Å²	23	54.7 Å²	54.7	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.4	176.8	-179.4	0	0	0	0	109.7	A176 L187 R188 A191 L195	A176-V199 WeakPolarHBondContact O-CA 3.11Å; L187-V199 HydrophobicContact CB-CG1 3.99Å; L187-V199 HydrophobicContact CD1-CG1 4.44Å; R188-V199 HydrophobicContact CG-CG2 4.11Å; A191-V199 HydrophobicContact CB-CG2 3.38Å; L195-V199 HydrophobicContact CB-CG2 4.44Å; L195-V199 HydrophobicContact CD2-CG2 4.04Å; L195-V199 WeakPolarHBondContact O-CB 3.49Å; L195-V199 PolarHBondContact O-N 2.91Å
200	D	88.4	Confident	82.5	Confident	23 Å²	23	58.8 Å²	58.8	12%	0.123	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147	173.3	-70.8	-68.3	0	0	0	111.1	A176 I177 G178 L211 K214	A176-D200 PolarHBondContact O-N 3.06Å; I177-D200 WeakPolarHBondContact CA-O 3.23Å; I177-D200 HydrophobicContact CG1-CB 4.43Å; G178-D200 PolarHBondContact N-O 3.35Å; D200-L211 HydrophobicContact CB-CD1 3.91Å; D200-L211 HydrophobicContact CB-CD2 3.99Å; D200-K214 IonicContact OD1-NZ 2.74Å; D200-K214 PolarHBondContact OD1-NZ 3.5Å; D200-K214 IonicContact OD2-NZ 2.87Å; D200-K214 PolarHBondContact OD2-NZ 2.96Å
201	Y	87.3	Confident	81.6	Confident	109 Å²	109	59.6 Å²	59.6	43%	0.427	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.3	175.6	172.2	-92.2	0	0	0	110.1	G178 G180 V182 L184 E203	G178-Y201 WeakPolarHBondContact O-CA 3.11Å; G180-Y201 WeakPolarHBondContact O-CE2 2.99Å; G180-Y201 PolarHBondContact O-OH 3.41Å; V182-Y201 HydrophobicContact CG1-CD2 3.61Å; V182-Y201 HydrophobicContact CG1-CE2 3.81Å; L184-Y201 HydrophobicContact CD2-CD2 4.29Å; L184-Y201 HydrophobicContact CD2-CG 4.45Å; Y201-E203 HydrophobicContact CE1-CG 3.94Å
202	V	84.4	Confident	80.5	Confident	10 Å²	10	60 Å²	60	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.2	171.3	-67.3	0	0	0	0	110.5	G178 V179 G180 S204 V207 I208 L211	G178-V202 PolarHBondContact O-N 3.34Å; V179-V202 CarbonylContact C-O 3.55Å; V179-V202 WeakPolarHBondContact CA-O 3.43Å; V179-V202 HydrophobicContact CB-CG2 4.18Å; V179-V202 HydrophobicContact CG1-CG2 4.03Å; V179-V202 HydrophobicContact CG2-CG2 3.74Å; G180-V202 PolarHBondContact N-O 3.49Å; V202-S204 PolarHBondContact O-N 2.96Å; V202-V207 HydrophobicContact CG1-CG1 4.47Å; V202-I208 HydrophobicContact CG2-CB 4.19Å; V202-I208 HydrophobicContact CG2-CG1 4.16Å; V202-L211 HydrophobicContact CG1-CD1 3.94Å; V202-L211 HydrophobicContact CG1-CD2 4.44Å; V202-L211 HydrophobicContact CG1-CG 4.09Å
203	E	82.3	Confident	79.2	Confident	157 Å²	157	62.8 Å²	62.8	73%	0.734	32%	0.32	S	S	*	.	S	Bend	trans	-66.9	-23.6	-176.3	-64	-179.7	169.6	0	0	113.2	G180 Y201	G180-E203 WeakPolarHBondContact CA-O 3.33Å; Y201-E203 HydrophobicContact CE1-CG 3.94Å
204	S	81.3	Confident	78.6	Confident	43 Å²	43	58.9 Å²	58.9	30%	0.301	30%	0.301	S	S	.	.	S	Bend	trans	-157.2	160.7	177.9	68.3	0	0	0	0	111.8	V179 V202 S206 V207	V179-S204 VanDerWaalsContact CG1-C 3.46Å; V202-S204 PolarHBondContact O-N 2.96Å; S204-S206 PolarHBondContact O-N 2.85Å; S204-S206 PolarHBondContact OG-OG 2.91Å; S204-V207 PolarHBondContact O-N 3.05Å; S204-V207 VanDerWaalsContact O-N 3.09Å
205	Y	78.9	Confident	77.8	Confident	8 Å²	8	55.8 Å²	55.8	3%	0.031	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-60.9	-24.8	175.1	-75.4	-78.7	0	0	0	112.8	V51 E55 Q58 V59 V151 D153 V179 V207 I208	V51-Y205 HydrophobicContact CG1-CE2 4.31Å; V51-Y205 WeakPolarHBondContact CG2-OH 3.43Å; E55-Y205 HydrophobicContact CB-CD2 3.51Å; E55-Y205 HydrophobicContact CB-CE2 3.89Å; E55-Y205 HydrophobicContact CB-CG 3.93Å; E55-Y205 HydrophobicContact CG-CD2 3.7Å; E55-Y205 HydrophobicContact CG-CE2 4.33Å; E55-Y205 HydrophobicContact CG-CG 4.32Å; Q58-Y205 PolarHBondContact OE1-O 3.33Å; V59-Y205 HydrophobicContact CG2-CD1 3.44Å; V59-Y205 VanDerWaalsContact CG2-CD1 3.44Å; V59-Y205 HydrophobicContact CG2-CE1 3.2Å; V151-Y205 HydrophobicContact CG1-CE1 4.42Å; D153-Y205 HydrophobicContact CB-CE2 4.02Å; D153-Y205 WeakPolarHBondContact CB-OH 3.28Å; V179-Y205 HydrophobicContact CB-CD1 4.29Å; V179-Y205 HydrophobicContact CB-CD2 4.34Å; V179-Y205 HydrophobicContact CB-CE1 3.96Å; V179-Y205 HydrophobicContact CB-CE2 4.05Å; V179-Y205 HydrophobicContact CB-CG 4.48Å; V179-Y205 HydrophobicContact CG1-CD1 3.79Å; V179-Y205 HydrophobicContact CG1-CD2 3.46Å; V179-Y205 VanDerWaalsContact CG1-CD2 3.46Å; V179-Y205 HydrophobicContact CG1-CE1 3.93Å; V179-Y205 HydrophobicContact CG1-CE2 3.64Å; V179-Y205 HydrophobicContact CG1-CG 3.57Å; V179-Y205 VanDerWaalsContact CG1-N 3.32Å; V179-Y205 HydrophobicContact CG2-CD1 4.06Å; V179-Y205 HydrophobicContact CG2-CE1 3.74Å; Y205-V207 PolarHBondContact O-N 2.96Å; Y205-I208 HydrophobicContact CD1-CD1 4.31Å; Y205-I208 WeakPolarHBondContact O-CB 3.23Å; Y205-I208 WeakPolarHBondContact O-CG2 3.38Å; Y205-I208 PolarHBondContact O-N 3.48Å
206	S	73.1	Confident	77.1	Confident	79 Å²	79	56.6 Å²	56.6	55%	0.552	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.5	178.4	62.7	0	0	0	0	113	S204	S204-S206 PolarHBondContact O-N 2.85Å; S204-S206 PolarHBondContact OG-OG 2.91Å
207	V	77.1	Confident	76.2	Confident	40 Å²	40	53.5 Å²	53.5	24%	0.242	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-103	-10.7	-179.6	-175.3	0	0	0	0	111.5	V202 S204 Y205 E209 K210	V202-V207 HydrophobicContact CG1-CG1 4.47Å; S204-V207 PolarHBondContact O-N 3.05Å; S204-V207 VanDerWaalsContact O-N 3.09Å; Y205-V207 PolarHBondContact O-N 2.96Å; V207-E209 PolarHBondContact O-N 3.21Å; V207-E209 VanDerWaalsContact O-N 3.11Å; V207-K210 HydrophobicContact CG1-CD 3.56Å; V207-K210 HydrophobicContact CG1-CG 4.05Å; V207-K210 WeakPolarHBondContact O-CB 3.48Å; V207-K210 WeakPolarHBondContact O-CG 3.4Å; V207-K210 PolarHBondContact O-N 3.29Å
208	I	74.3	Confident	75.4	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.9	-27.7	-176.8	-155.7	178	0	0	0	112.4	F62 V151 I177 V179 V202 Y205 K210 L211	F62-I208 HydrophobicContact CB-CG2 3.8Å; F62-I208 HydrophobicContact CD1-CD1 4.08Å; F62-I208 HydrophobicContact CD1-CG1 4.44Å; F62-I208 HydrophobicContact CD2-CG1 4.29Å; F62-I208 HydrophobicContact CD2-CG2 4.41Å; F62-I208 WeakPolarHBondContact CD2-O 3.46Å; F62-I208 HydrophobicContact CE1-CD1 4.47Å; F62-I208 HydrophobicContact CG-CD1 4.25Å; F62-I208 HydrophobicContact CG-CG1 4.23Å; F62-I208 HydrophobicContact CG-CG2 4.14Å; V151-I208 HydrophobicContact CG1-CD1 3.79Å; I177-I208 HydrophobicContact CG2-CD1 4.42Å; I177-I208 HydrophobicContact CG2-CG1 4.42Å; V179-I208 HydrophobicContact CG2-CD1 3.87Å; V202-I208 HydrophobicContact CG2-CB 4.19Å; V202-I208 HydrophobicContact CG2-CG1 4.16Å; Y205-I208 HydrophobicContact CD1-CD1 4.31Å; Y205-I208 WeakPolarHBondContact O-CB 3.23Å; Y205-I208 WeakPolarHBondContact O-CG2 3.38Å; Y205-I208 PolarHBondContact O-N 3.48Å; I208-K210 PolarHBondContact O-N 3.45Å; I208-K210 VanDerWaalsContact O-N 3.17Å; I208-L211 HydrophobicContact CG1-CD1 4.32Å; I208-L211 WeakPolarHBondContact O-CB 3.15Å; I208-L211 PolarHBondContact O-N 3.16Å
209	E	67.1	Low	74.3	Confident	92 Å²	92	51.8 Å²	51.8	43%	0.43	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-60.5	-24.5	175.7	-66.3	-175.4	177.7	0	0	113	V61 V207 L211 T212	V61-E209 WeakPolarHBondContact CG1-OE1 3.34Å; V207-E209 PolarHBondContact O-N 3.21Å; V207-E209 VanDerWaalsContact O-N 3.11Å; E209-L211 PolarHBondContact O-N 3.47Å; E209-T212 WeakPolarHBondContact O-CB 3.32Å; E209-T212 PolarHBondContact O-N 3.43Å; E209-T212 PolarHBondContact O-OG1 3.13Å
210	K	71.3	Confident	72.8	Confident	161 Å²	161	51.8 Å²	51.8	70%	0.7	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-62.9	-27.4	175.2	-64.1	-171.6	-172.6	166.8	0	112.4	V207 I208 T212	V207-K210 HydrophobicContact CG1-CD 3.56Å; V207-K210 HydrophobicContact CG1-CG 4.05Å; V207-K210 WeakPolarHBondContact O-CB 3.48Å; V207-K210 WeakPolarHBondContact O-CG 3.4Å; V207-K210 PolarHBondContact O-N 3.29Å; I208-K210 PolarHBondContact O-N 3.45Å; I208-K210 VanDerWaalsContact O-N 3.17Å; K210-T212 PolarHBondContact O-N 3.5Å
211	L	75.3	Confident	71.1	Confident	18 Å²	18	52 Å²	52	9%	0.094	26%	0.26	C	S	.	.	H	α-helix	trans	-73.8	-16.7	176.6	-59.4	179.2	0	0	0	112.3	F62 I177 D200 V202 I208 E209 K213 K214 F215	F62-L211 HydrophobicContact CE2-CB 4.06Å; I177-L211 HydrophobicContact CD1-CD1 4.03Å; I177-L211 HydrophobicContact CG1-CD1 4.25Å; I177-L211 HydrophobicContact CG2-CD1 3.5Å; I177-L211 VanDerWaalsContact CG2-CD1 3.5Å; D200-L211 HydrophobicContact CB-CD1 3.91Å; D200-L211 HydrophobicContact CB-CD2 3.99Å; V202-L211 HydrophobicContact CG1-CD1 3.94Å; V202-L211 HydrophobicContact CG1-CD2 4.44Å; V202-L211 HydrophobicContact CG1-CG 4.09Å; I208-L211 HydrophobicContact CG1-CD1 4.32Å; I208-L211 WeakPolarHBondContact O-CB 3.15Å; I208-L211 PolarHBondContact O-N 3.16Å; E209-L211 PolarHBondContact O-N 3.47Å; L211-K213 PolarHBondContact O-N 2.78Å; L211-K214 WeakPolarHBondContact O-CB 3.4Å; L211-K214 PolarHBondContact O-N 2.6Å; L211-K214 VanDerWaalsContact O-N 3.14Å; L211-F215 HydrophobicContact CB-CD2 4.17Å; L211-F215 HydrophobicContact CB-CE2 4.08Å; L211-F215 VanDerWaalsContact O-CD2 3.24Å; L211-F215 WeakPolarHBondContact O-CD2 3.26Å; L211-F215 PolarHBondContact O-N 3.2Å
212	T	70.4	Confident	69.4	Low	12 Å²	12	48.7 Å²	48.7	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-53.1	-43.4	177.9	-51.6	0	0	0	0	111	N65 V66 E209 K210 F215 Q216	N65-T212 HydrophobicContact CB-CG2 3.65Å; V66-T212 HydrophobicContact CG2-CG2 4.24Å; E209-T212 WeakPolarHBondContact O-CB 3.32Å; E209-T212 PolarHBondContact O-N 3.43Å; E209-T212 PolarHBondContact O-OG1 3.13Å; K210-T212 PolarHBondContact O-N 3.5Å; T212-F215 PolarHBondContact O-N 3.42Å; T212-Q216 HydrophobicContact CG2-CG 4.28Å; T212-Q216 WeakPolarHBondContact O-CB 3.41Å; T212-Q216 WeakPolarHBondContact O-CG 3.49Å; T212-Q216 PolarHBondContact O-N 2.02Å
213	K	65.1	Low	68.1	Low	71 Å²	71	52.1 Å²	52.1	31%	0.309	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-44.3	-178.7	-160.7	179.7	-171.3	173.5	0	111.6	D22 L211 F215 Q216 E217	D22-K213 IonicContact OD1-NZ 3.74Å; D22-K213 PolarHBondContact OD1-NZ 3.18Å; L211-K213 PolarHBondContact O-N 2.78Å; K213-F215 VanDerWaalsContact C-N 3.33Å; K213-F215 PolarHBondContact O-N 3.5Å; K213-Q216 PolarHBondContact O-N 2.95Å; K213-E217 WeakPolarHBondContact CE-OE1 3.42Å; K213-E217 WeakPolarHBondContact O-CB 3.44Å; K213-E217 WeakPolarHBondContact O-CG 3.33Å; K213-E217 PolarHBondContact O-N 2.81Å
214	K	71.6	Confident	67.2	Low	61 Å²	61	46.5 Å²	46.5	27%	0.265	25%	0.246	S	C	.	.	H	α-helix	trans	-55	-48.1	174.8	-175.5	-175.4	-179.4	-173.2	0	111.3	D197 D200 L211 E217 A218	D197-K214 WeakPolarHBondContact O-CE 3.24Å; D197-K214 PolarHBondContact O-NZ 3.4Å; D200-K214 IonicContact OD1-NZ 2.74Å; D200-K214 PolarHBondContact OD1-NZ 3.5Å; D200-K214 IonicContact OD2-NZ 2.87Å; D200-K214 PolarHBondContact OD2-NZ 2.96Å; L211-K214 WeakPolarHBondContact O-CB 3.4Å; L211-K214 PolarHBondContact O-N 2.6Å; L211-K214 VanDerWaalsContact O-N 3.14Å; K214-E217 PolarHBondContact O-N 2.96Å; K214-A218 WeakPolarHBondContact O-CB 3.45Å; K214-A218 PolarHBondContact O-N 3.11Å
215	F	71.3	Confident	66.5	Low	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-71.2	-37.4	179.2	-74.6	-69.8	0	0	0	112.5	F62 V66 I149 F175 I177 L211 T212 K213 E217 A218 F219	F62-F215 HydrophobicContact CE2-CD2 4.41Å; F62-F215 HydrophobicContact CZ-CD2 4.1Å; F62-F215 HydrophobicContact CZ-CE2 4.26Å; V66-F215 HydrophobicContact CG1-CB 4.28Å; V66-F215 HydrophobicContact CG2-CB 4.37Å; I149-F215 HydrophobicContact CD1-CD1 3.66Å; I149-F215 HydrophobicContact CD1-CE1 3.74Å; I149-F215 HydrophobicContact CD1-CG 4.2Å; I149-F215 HydrophobicContact CD1-CZ 4.38Å; I149-F215 HydrophobicContact CG1-CD1 4.41Å; I149-F215 HydrophobicContact CG1-CE1 4.02Å; I149-F215 HydrophobicContact CG2-CZ 4.39Å; F175-F215 HydrophobicContact CB-CE1 3.83Å; F175-F215 HydrophobicContact CB-CZ 4.03Å; F175-F215 AromaticContact CD1-CE1 3.66Å; F175-F215 HydrophobicContact CD1-CE1 3.66Å; F175-F215 HydrophobicContact CD1-CZ 4.17Å; F175-F215 HydrophobicContact CD2-CE1 4.33Å; F175-F215 HydrophobicContact CE1-CE1 4.33Å; F175-F215 AromaticContact CG-CE1 3.67Å; F175-F215 HydrophobicContact CG-CE1 3.67Å; F175-F215 HydrophobicContact CG-CZ 4.27Å; I177-F215 HydrophobicContact CD1-CD2 4.48Å; I177-F215 HydrophobicContact CD1-CE2 3.42Å; I177-F215 VanDerWaalsContact CD1-CE2 3.42Å; I177-F215 HydrophobicContact CD1-CZ 3.69Å; I177-F215 HydrophobicContact CG1-CE2 4.22Å; I177-F215 HydrophobicContact CG1-CZ 4.14Å; L211-F215 HydrophobicContact CB-CD2 4.17Å; L211-F215 HydrophobicContact CB-CE2 4.08Å; L211-F215 VanDerWaalsContact O-CD2 3.24Å; L211-F215 WeakPolarHBondContact O-CD2 3.26Å; L211-F215 PolarHBondContact O-N 3.2Å; T212-F215 PolarHBondContact O-N 3.42Å; K213-F215 VanDerWaalsContact C-N 3.33Å; K213-F215 PolarHBondContact O-N 3.5Å; F215-E217 VanDerWaalsContact C-N 3.27Å; F215-E217 PolarHBondContact O-N 3.33Å; F215-A218 PolarHBondContact O-N 3.46Å; F215-F219 HydrophobicContact CB-CD2 4.13Å; F215-F219 HydrophobicContact CB-CE2 3.97Å; F215-F219 AromaticContact CD1-CE2 3.7Å; F215-F219 HydrophobicContact CD1-CE2 3.7Å; F215-F219 HydrophobicContact CD1-CZ 4.34Å; F215-F219 HydrophobicContact CG-CE2 4.27Å; F215-F219 WeakPolarHBondContact O-CB 3.3Å; F215-F219 WeakPolarHBondContact O-CD2 3.09Å; F215-F219 PolarHBondContact O-N 3.08Å
216	Q	66.3	Low	65.6	Low	55 Å²	55	49 Å²	49	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-39.7	173.1	-75.3	175.5	-8.1	0	0	112	N65 T212 K213 C220	N65-Q216 PolarHBondContact O-NE2 3Å; T212-Q216 HydrophobicContact CG2-CG 4.28Å; T212-Q216 WeakPolarHBondContact O-CB 3.41Å; T212-Q216 WeakPolarHBondContact O-CG 3.49Å; T212-Q216 PolarHBondContact O-N 2.02Å; K213-Q216 PolarHBondContact O-N 2.95Å; Q216-C220 VanDerWaalsContact O-CB 3.32Å; Q216-C220 WeakPolarHBondContact O-CB 3.39Å; Q216-C220 PolarHBondContact O-N 2.04Å
217	E	60.9	Low	64.9	Low	76 Å²	76	49.1 Å²	49.1	36%	0.355	27%	0.266	S	S	.	.	H	α-helix	trans	-70.8	-40.9	174.6	-71.2	167.6	-177.4	0	0	111.8	K213 K214 F215 F219 C220	K213-E217 WeakPolarHBondContact CE-OE1 3.42Å; K213-E217 WeakPolarHBondContact O-CB 3.44Å; K213-E217 WeakPolarHBondContact O-CG 3.33Å; K213-E217 PolarHBondContact O-N 2.81Å; K214-E217 PolarHBondContact O-N 2.96Å; F215-E217 VanDerWaalsContact C-N 3.27Å; F215-E217 PolarHBondContact O-N 3.33Å; E217-F219 PolarHBondContact O-N 3.06Å; E217-C220 PolarHBondContact O-N 3.42Å
218	A	62.3	Low	63.9	Low	25 Å²	25	50 Å²	50	21%	0.207	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-37	177.6	0	0	0	0	0	113	K214 F215 G241	K214-A218 WeakPolarHBondContact O-CB 3.45Å; K214-A218 PolarHBondContact O-N 3.11Å; F215-A218 PolarHBondContact O-N 3.46Å; A218-G241 PolarHBondContact O-N 3.29Å
219	F	62.8	Low	63.3	Low	24 Å²	24	56.6 Å²	56.6	11%	0.105	32%	0.319	C	S	.	.	H	α-helix	trans	-88.8	-16.5	-180	-66.2	-63.6	0	0	0	113.9	T36 T39 L41 L70 V147 I149 F215 E217	T36-F219 WeakPolarHBondContact CG2-O 3.49Å; T39-F219 HydrophobicContact CG2-CE1 4.46Å; L41-F219 HydrophobicContact CD1-CE1 4.22Å; L41-F219 HydrophobicContact CD1-CZ 3.75Å; L41-F219 HydrophobicContact CD2-CE2 4.37Å; L41-F219 HydrophobicContact CD2-CZ 4.24Å; L70-F219 HydrophobicContact CD2-CB 3.47Å; L70-F219 VanDerWaalsContact CD2-CB 3.47Å; L70-F219 HydrophobicContact CD2-CD1 4.49Å; L70-F219 HydrophobicContact CD2-CD2 3.66Å; L70-F219 HydrophobicContact CD2-CG 3.63Å; V147-F219 HydrophobicContact CB-CE1 4.08Å; V147-F219 HydrophobicContact CB-CZ 4.45Å; V147-F219 HydrophobicContact CG1-CE1 3.86Å; V147-F219 HydrophobicContact CG1-CZ 3.82Å; V147-F219 HydrophobicContact CG2-CE1 4.07Å; I149-F219 HydrophobicContact CD1-CE2 3.85Å; I149-F219 HydrophobicContact CD1-CZ 3.93Å; F215-F219 HydrophobicContact CB-CD2 4.13Å; F215-F219 HydrophobicContact CB-CE2 3.97Å; F215-F219 AromaticContact CD1-CE2 3.7Å; F215-F219 HydrophobicContact CD1-CE2 3.7Å; F215-F219 HydrophobicContact CD1-CZ 4.34Å; F215-F219 HydrophobicContact CG-CE2 4.27Å; F215-F219 WeakPolarHBondContact O-CB 3.3Å; F215-F219 WeakPolarHBondContact O-CD2 3.09Å; F215-F219 PolarHBondContact O-N 3.08Å; E217-F219 PolarHBondContact O-N 3.06Å
220	C	57.8	Low	63.8	Low	23 Å²	23	55.2 Å²	55.2	16%	0.155	31%	0.312	C	S	.	.	S	Bend	trans	-81	111.6	161.9	173.2	0	0	0	0	107.4	C34 Q216 E217 S222	C34-C220 HydrophobicContact CB-CB 4.12Å; C34-C220 WeakPolarHBondContact CB-SG 3.44Å; C34-C220 WeakPolarHBondContact SG-CB 3.23Å; C34-C220 CovalentContact SG-SG 2.04Å; C34-C220 PolarHBondContact SG-SG 3.33Å; Q216-C220 VanDerWaalsContact O-CB 3.32Å; Q216-C220 WeakPolarHBondContact O-CB 3.39Å; Q216-C220 PolarHBondContact O-N 2.04Å; E217-C220 PolarHBondContact O-N 3.42Å; C220-S222 PolarHBondContact O-N 2.9Å
221	V	51.5	Low	64.2	Low	26 Å²	26	50.5 Å²	50.5	16%	0.158	30%	0.295	C	S	.	.			trans	-69.3	86.1	160.9	-169.6	0	0	0	0	105.8	D223 P240	V221-D223 PolarHBondContact O-N 3.29Å; V221-P240 HydrophobicContact CG2-CB 4.49Å
222	S	52.3	Low	64.5	Low	40 Å²	40	50.3 Å²	50.3	28%	0.28	30%	0.295	S	S	.	.			trans	-60.7	128.8	146.3	58.8	0	0	0	0	104.4	C220 L224	C220-S222 PolarHBondContact O-N 2.9Å; S222-L224 PolarHBondContact O-N 3.37Å
223	D	57.7	Low	65.1	Low	82 Å²	82	55 Å²	55	44%	0.439	32%	0.316	S	S	.	.			trans	-63.8	91.1	164.5	-178.4	-0.1	0	0	0	105.8	V221 C225 A226 T227 S238	V221-D223 PolarHBondContact O-N 3.29Å; D223-C225 PolarHBondContact O-N 3.09Å; D223-C225 VanDerWaalsContact OD1-CB 3.29Å; D223-C225 WeakPolarHBondContact OD1-CB 3.48Å; D223-C225 PolarHBondContact OD1-N 3.3Å; D223-A226 HydrophobicContact CB-CB 3.69Å; D223-A226 CarbonylContact O-C 3.59Å; D223-A226 VanDerWaalsContact O-CA 3.31Å; D223-A226 WeakPolarHBondContact O-CA 3.43Å; D223-A226 VanDerWaalsContact O-CB 3.31Å; D223-A226 WeakPolarHBondContact O-CB 3.41Å; D223-A226 PolarHBondContact O-N 2.92Å; D223-A226 PolarHBondContact OD1-N 3.47Å; D223-T227 PolarHBondContact O-N 2.86Å; D223-T227 VanDerWaalsContact O-N 3.1Å; D223-S238 WeakPolarHBondContact OD1-CB 3.24Å; D223-S238 PolarHBondContact OD1-OG 3.05Å
224	L	63.1	Low	65.7	Low	40 Å²	40	54 Å²	54	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-57.9	-32.3	-179.6	-78.2	160.7	0	0	0	109.6	S222 A226 T227 S238 S242 Y243	S222-L224 PolarHBondContact O-N 3.37Å; L224-A226 VanDerWaalsContact C-N 3.3Å; L224-A226 PolarHBondContact O-N 2.57Å; L224-T227 PolarHBondContact O-N 2.73Å; L224-T227 VanDerWaalsContact O-N 3.13Å; L224-T227 PolarHBondContact O-OG1 3.34Å; L224-S238 PolarHBondContact N-OG 3.42Å; L224-S242 VanDerWaalsContact CD1-C 3.49Å; L224-S242 VanDerWaalsContact CD1-CA 3.45Å; L224-S242 WeakPolarHBondContact CD1-O 3.28Å; L224-Y243 HydrophobicContact CB-CD1 4.05Å; L224-Y243 HydrophobicContact CD1-CD1 4.38Å
225	C	65.8	Low	66.2	Low	27 Å²	27	53.5 Å²	53.5	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-33.9	169.4	-53	0	0	0	0	113.4	D223 T227 C236 I237 S238	D223-C225 PolarHBondContact O-N 3.09Å; D223-C225 VanDerWaalsContact OD1-CB 3.29Å; D223-C225 WeakPolarHBondContact OD1-CB 3.48Å; D223-C225 PolarHBondContact OD1-N 3.3Å; C225-T227 VanDerWaalsContact C-N 3.35Å; C225-C236 WeakPolarHBondContact CA-SG 3.44Å; C225-C236 HydrophobicContact CB-CB 3.7Å; C225-C236 WeakPolarHBondContact CB-SG 3.35Å; C225-C236 WeakPolarHBondContact SG-CB 3.29Å; C225-C236 PolarHBondContact SG-O 3.02Å; C225-C236 VanDerWaalsContact SG-O 3.34Å; C225-C236 CovalentContact SG-SG 2.03Å; C225-C236 PolarHBondContact SG-SG 3.21Å; C225-I237 PolarHBondContact SG-N 2.58Å; C225-I237 VanDerWaalsContact SG-N 3.45Å; C225-S238 WeakPolarHBondContact CB-OG 3.42Å; C225-S238 PolarHBondContact N-OG 2.97Å; C225-S238 PolarHBondContact SG-N 3.3Å; C225-S238 PolarHBondContact SG-OG 2.88Å
226	A	60.1	Low	66.7	Low	77 Å²	77	54.6 Å²	54.6	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-77.5	-17.1	174.3	0	0	0	0	0	113.9	D223 L224 G228	D223-A226 HydrophobicContact CB-CB 3.69Å; D223-A226 CarbonylContact O-C 3.59Å; D223-A226 VanDerWaalsContact O-CA 3.31Å; D223-A226 WeakPolarHBondContact O-CA 3.43Å; D223-A226 VanDerWaalsContact O-CB 3.31Å; D223-A226 WeakPolarHBondContact O-CB 3.41Å; D223-A226 PolarHBondContact O-N 2.92Å; D223-A226 PolarHBondContact OD1-N 3.47Å; L224-A226 VanDerWaalsContact C-N 3.3Å; L224-A226 PolarHBondContact O-N 2.57Å; A226-G228 VanDerWaalsContact C-N 3.25Å
227	T	59.3	Low	67.3	Low	80 Å²	80	55.3 Å²	55.3	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-72.2	-23.2	173.3	71	0	0	0	0	112.3	D223 L224 C225 D229	D223-T227 PolarHBondContact O-N 2.86Å; D223-T227 VanDerWaalsContact O-N 3.1Å; L224-T227 PolarHBondContact O-N 2.73Å; L224-T227 VanDerWaalsContact O-N 3.13Å; L224-T227 PolarHBondContact O-OG1 3.34Å; C225-T227 VanDerWaalsContact C-N 3.35Å; T227-D229 PolarHBondContact O-N 3.45Å; T227-D229 PolarHBondContact OG1-N 3.1Å
228	G	56.2	Low	67.7	Low	59 Å²	59	52.9 Å²	52.9	61%	0.608	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	5.8	-175.7	0	0	0	0	0	114.4	A226	A226-G228 VanDerWaalsContact C-N 3.25Å
229	D	60.8	Low	67.5	Low	138 Å²	138	53.6 Å²	53.6	74%	0.738	32%	0.32	S	S	*	.			trans	-100.8	61.6	178.2	-163	17.6	0	0	0	110.2	T227	T227-D229 PolarHBondContact O-N 3.45Å; T227-D229 PolarHBondContact OG1-N 3.1Å
230	H	76.9	Confident	67.2	Low	63 Å²	63	54.3 Å²	54.3	29%	0.292	33%	0.327	S	S	.	.			trans	-138.5	153.8	178	65.6	73	0	0	0	111.2	C236 Y243	H230-C236 VanDerWaalsContact CG-SG 3.58Å; H230-Y243 WeakPolarHBondContact CA-OH 3.29Å; H230-Y243 HydrophobicContact CB-CD1 4.02Å; H230-Y243 HydrophobicContact CB-CD2 3.97Å; H230-Y243 HydrophobicContact CB-CE1 3.63Å; H230-Y243 HydrophobicContact CB-CE2 3.59Å; H230-Y243 HydrophobicContact CB-CG 4.17Å; H230-Y243 VanDerWaalsContact CB-CZ 3.4Å
231	D	81.4	Confident	67.2	Low	63 Å²	63	55.1 Å²	55.1	34%	0.337	34%	0.34	S	S	.	.			trans	-103.4	10.6	-174	54	33.2	0	0	0	114.8	Q233 Y243 R258	D231-Q233 PolarHBondContact O-N 3.01Å; D231-Y243 PolarHBondContact N-OH 3.01Å; D231-Y243 PolarHBondContact OD1-OH 3.48Å; D231-Y243 VanDerWaalsContact OD1-OH 3.08Å; D231-Y243 PolarHBondContact OD2-OH 3.22Å; D231-R258 WeakPolarHBondContact OD1-CD 3.31Å; D231-R258 IonicContact OD1-CZ 3.23Å; D231-R258 IonicContact OD1-NE 3.94Å; D231-R258 IonicContact OD2-CZ 2.91Å; D231-R258 IonicContact OD2-NE 3.79Å; D231-R258 PolarHBondContact OD2-NE 3.18Å; D231-R258 IonicContact OD2-NH1 2.9Å; D231-R258 PolarHBondContact OD2-NH1 3.34Å; D231-R258 IonicContact OD2-NH2 2.71Å; D231-R258 PolarHBondContact OD2-NH2 3.05Å
232	C	80.6	Confident	67.9	Low	14 Å²	14	56 Å²	56	10%	0.095	35%	0.347	C	S	.	.			trans	-62	126.2	174	-59.4	0	0	0	0	112.5	Q234 C236 Y243 C245	C232-Q234 VanDerWaalsContact C-N 3.34Å; C232-Q234 PolarHBondContact O-N 3.37Å; C232-C236 HydrophobicContact CB-CB 4.07Å; C232-Y243 VanDerWaalsContact SG-CD2 3.51Å; C232-C245 WeakPolarHBondContact CA-SG 3.39Å; C232-C245 HydrophobicContact CB-CB 3.6Å; C232-C245 WeakPolarHBondContact CB-SG 3.33Å; C232-C245 WeakPolarHBondContact SG-CA 3.35Å; C232-C245 WeakPolarHBondContact SG-CB 3Å; C232-C245 CovalentContact SG-SG 2.04Å; C232-C245 PolarHBondContact SG-SG 2.79Å
233	Q	82.4	Confident	69.1	Low	111 Å²	111	56.6 Å²	56.6	52%	0.519	34%	0.343	S	S	.	.	S	Bend	trans	-65.3	-36.2	179.7	-170.8	-170.4	16.5	0	0	112.9	D231 R258 T259 C260	D231-Q233 PolarHBondContact O-N 3.01Å; Q233-R258 PolarHBondContact N-O 3.16Å; Q233-T259 HydrophobicContact CB-CG2 4.45Å; Q233-C260 PolarHBondContact OE1-O 2.94Å
234	Q	78.3	Confident	70.4	Confident	49 Å²	49	58.4 Å²	58.4	23%	0.229	35%	0.347	C	S	.	.	S	Bend	trans	-125.7	-69.9	-173.1	-63.9	-170.1	-2	0	0	113.8	C232 K248 F251 C260	C232-Q234 VanDerWaalsContact C-N 3.34Å; C232-Q234 PolarHBondContact O-N 3.37Å; Q234-K248 HydrophobicContact CB-CG 4.42Å; Q234-F251 VanDerWaalsContact NE2-CD1 3.35Å; Q234-C260 HydrophobicContact CG-CB 4.03Å
235	V	82.5	Confident	71.4	Confident	50 Å²	50	57.1 Å²	57.1	30%	0.303	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.7	-175.6	-175.5	0	0	0	0	108.4	I237 C245 A246 K248	V235-I237 HydrophobicContact CG1-CG1 4.13Å; V235-C245 CarbonylContact O-C 3.57Å; V235-C245 WeakPolarHBondContact O-CA 2.96Å; V235-A246 HydrophobicContact CB-CB 4.12Å; V235-A246 VanDerWaalsContact CB-O 3.3Å; V235-A246 WeakPolarHBondContact CB-O 3.45Å; V235-A246 HydrophobicContact CG1-CB 4.36Å; V235-A246 PolarHBondContact N-O 3.14Å; V235-A246 PolarHBondContact O-N 2.86Å; V235-K248 HydrophobicContact CG2-CG 3.82Å
236	C	81.5	Confident	72.3	Confident	25 Å²	25	57 Å²	57	17%	0.169	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.9	169.7	178.1	0	0	0	0	108.9	C225 H230 C232	C225-C236 WeakPolarHBondContact CA-SG 3.44Å; C225-C236 HydrophobicContact CB-CB 3.7Å; C225-C236 WeakPolarHBondContact CB-SG 3.35Å; C225-C236 WeakPolarHBondContact SG-CB 3.29Å; C225-C236 PolarHBondContact SG-O 3.02Å; C225-C236 VanDerWaalsContact SG-O 3.34Å; C225-C236 CovalentContact SG-SG 2.03Å; C225-C236 PolarHBondContact SG-SG 3.21Å; H230-C236 VanDerWaalsContact CG-SG 3.58Å; C232-C236 HydrophobicContact CB-CB 4.07Å
237	I	80.1	Confident	73.2	Confident	69 Å²	69	54.7 Å²	54.7	35%	0.354	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	106.4	175.5	-55.4	176.6	0	0	0	107.6	C225 V235 T239 Y243 K244 A246	C225-I237 PolarHBondContact SG-N 2.58Å; C225-I237 VanDerWaalsContact SG-N 3.45Å; V235-I237 HydrophobicContact CG1-CG1 4.13Å; I237-T239 PolarHBondContact O-N 3.33Å; I237-Y243 WeakPolarHBondContact O-CA 3.4Å; I237-K244 HydrophobicContact CB-CG 3.88Å; I237-K244 HydrophobicContact CG2-CG 4.36Å; I237-K244 PolarHBondContact N-O 3.19Å; I237-K244 PolarHBondContact O-N 3.44Å; I237-A246 HydrophobicContact CD1-CB 3.53Å; I237-A246 HydrophobicContact CG1-CB 4.19Å
238	S	67.7	Low	73.9	Confident	26 Å²	26	56.4 Å²	56.4	18%	0.182	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	130.8	179	-74.6	0	0	0	0	111.2	D223 L224 C225	D223-S238 WeakPolarHBondContact OD1-CB 3.24Å; D223-S238 PolarHBondContact OD1-OG 3.05Å; L224-S238 PolarHBondContact N-OG 3.42Å; C225-S238 WeakPolarHBondContact CB-OG 3.42Å; C225-S238 PolarHBondContact N-OG 2.97Å; C225-S238 PolarHBondContact SG-N 3.3Å; C225-S238 PolarHBondContact SG-OG 2.88Å
239	T	59.2	Low	74.5	Confident	39 Å²	39	61.6 Å²	61.6	24%	0.239	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	162.5	172.4	51.5	0	0	0	0	109.4	I237 G241 S242 Y243 K244	I237-T239 PolarHBondContact O-N 3.33Å; T239-G241 PolarHBondContact O-N 2.99Å; T239-G241 VanDerWaalsContact O-N 3.17Å; T239-S242 CarbonylContact C-O 3.57Å; T239-S242 PolarHBondContact N-O 2.75Å; T239-S242 PolarHBondContact O-N 3.36Å; T239-S242 PolarHBondContact OG1-O 2.91Å; T239-Y243 PolarHBondContact OG1-N 3.44Å; T239-K244 HydrophobicContact CG2-CD 4.34Å; T239-K244 HydrophobicContact CG2-CG 4.21Å
240	P	56.6	Low	74.2	Confident	40 Å²	40	57.4 Å²	57.4	26%	0.26	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	124.6	175	-24.7	35.6	0	0	0	111	V221 S242	V221-P240 HydrophobicContact CG2-CB 4.49Å; P240-S242 PolarHBondContact O-N 2.78Å; P240-S242 VanDerWaalsContact O-N 3.09Å
241	G	57.3	Low	73.6	Confident	40 Å²	40	57.1 Å²	57.1	41%	0.412	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	0.4	-179.2	0	0	0	0	0	116.9	A218 T239	A218-G241 PolarHBondContact O-N 3.29Å; T239-G241 PolarHBondContact O-N 2.99Å; T239-G241 VanDerWaalsContact O-N 3.17Å
242	S	66.9	Low	73.1	Confident	45 Å²	45	57.8 Å²	57.8	32%	0.315	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	-170	-173.8	-168.7	0	0	0	0	112.1	L224 T239 P240	L224-S242 VanDerWaalsContact CD1-C 3.49Å; L224-S242 VanDerWaalsContact CD1-CA 3.45Å; L224-S242 WeakPolarHBondContact CD1-O 3.28Å; T239-S242 CarbonylContact C-O 3.57Å; T239-S242 PolarHBondContact N-O 2.75Å; T239-S242 PolarHBondContact O-N 3.36Å; T239-S242 PolarHBondContact OG1-O 2.91Å; P240-S242 PolarHBondContact O-N 2.78Å; P240-S242 VanDerWaalsContact O-N 3.09Å
243	Y	77.1	Confident	73	Confident	51 Å²	51	60.8 Å²	60.8	20%	0.2	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.4	169.6	61.8	-91	0	0	0	110.4	L224 H230 D231 C232 I237 T239	L224-Y243 HydrophobicContact CB-CD1 4.05Å; L224-Y243 HydrophobicContact CD1-CD1 4.38Å; H230-Y243 WeakPolarHBondContact CA-OH 3.29Å; H230-Y243 HydrophobicContact CB-CD1 4.02Å; H230-Y243 HydrophobicContact CB-CD2 3.97Å; H230-Y243 HydrophobicContact CB-CE1 3.63Å; H230-Y243 HydrophobicContact CB-CE2 3.59Å; H230-Y243 HydrophobicContact CB-CG 4.17Å; H230-Y243 VanDerWaalsContact CB-CZ 3.4Å; D231-Y243 PolarHBondContact N-OH 3.01Å; D231-Y243 PolarHBondContact OD1-OH 3.48Å; D231-Y243 VanDerWaalsContact OD1-OH 3.08Å; D231-Y243 PolarHBondContact OD2-OH 3.22Å; C232-Y243 VanDerWaalsContact SG-CD2 3.51Å; I237-Y243 WeakPolarHBondContact O-CA 3.4Å; T239-Y243 PolarHBondContact OG1-N 3.44Å
244	K	85.1	Confident	72.3	Confident	121 Å²	121	58 Å²	58	53%	0.526	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.1	169.9	65.8	179.4	178.7	174.7	0	110.6	I237 T239	I237-K244 HydrophobicContact CB-CG 3.88Å; I237-K244 HydrophobicContact CG2-CG 4.36Å; I237-K244 PolarHBondContact N-O 3.19Å; I237-K244 PolarHBondContact O-N 3.44Å; T239-K244 HydrophobicContact CG2-CD 4.34Å; T239-K244 HydrophobicContact CG2-CG 4.21Å
245	C	83.8	Confident	72.1	Confident	12 Å²	12	64.2 Å²	64.2	8%	0.081	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	145.5	175.9	-49.6	0	0	0	0	110.9	C232 V235 L253 G257	C232-C245 WeakPolarHBondContact CA-SG 3.39Å; C232-C245 HydrophobicContact CB-CB 3.6Å; C232-C245 WeakPolarHBondContact CB-SG 3.33Å; C232-C245 WeakPolarHBondContact SG-CA 3.35Å; C232-C245 WeakPolarHBondContact SG-CB 3Å; C232-C245 CovalentContact SG-SG 2.04Å; C232-C245 PolarHBondContact SG-SG 2.79Å; V235-C245 CarbonylContact O-C 3.57Å; V235-C245 WeakPolarHBondContact O-CA 2.96Å; C245-L253 HydrophobicContact CB-CD1 4.07Å; C245-L253 WeakPolarHBondContact O-CD2 2.99Å; C245-G257 WeakPolarHBondContact CB-O 3.05Å
246	A	84.7	Confident	71.6	Confident	25 Å²	25	65.7 Å²	65.7	21%	0.207	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	168.3	172.1	0	0	0	0	0	108.9	V235 I237	V235-A246 HydrophobicContact CB-CB 4.12Å; V235-A246 VanDerWaalsContact CB-O 3.3Å; V235-A246 WeakPolarHBondContact CB-O 3.45Å; V235-A246 HydrophobicContact CG1-CB 4.36Å; V235-A246 PolarHBondContact N-O 3.14Å; V235-A246 PolarHBondContact O-N 2.86Å; I237-A246 HydrophobicContact CD1-CB 3.53Å; I237-A246 HydrophobicContact CG1-CB 4.19Å
247	C	79.7	Confident	71.4	Confident	28 Å²	28	66 Å²	66	19%	0.189	38%	0.381	C	S	.	.			trans	-112.8	150.2	-178.4	-52.8	0	0	0	0	110.5	F251 T252 L253 C260	C247-F251 HydrophobicContact CB-CB 3.58Å; C247-T252 VanDerWaalsContact SG-C 3.56Å; C247-L253 WeakPolarHBondContact SG-CA 3.45Å; C247-L253 PolarHBondContact SG-N 3Å; C247-C260 WeakPolarHBondContact CA-SG 3.3Å; C247-C260 HydrophobicContact CB-CB 3.74Å; C247-C260 WeakPolarHBondContact CB-SG 3.03Å; C247-C260 VanDerWaalsContact SG-CA 3.54Å; C247-C260 WeakPolarHBondContact SG-CB 3.34Å; C247-C260 CovalentContact SG-SG 2.02Å; C247-C260 PolarHBondContact SG-SG 3.31Å
248	K	73.1	Confident	71.4	Confident	117 Å²	117	68.8 Å²	68.8	51%	0.509	39%	0.387	S	S	.	.			trans	-65.8	160.4	171.5	-66	175.5	-178.3	172.7	0	109.3	Q234 V235 G250 F251	Q234-K248 HydrophobicContact CB-CG 4.42Å; V235-K248 HydrophobicContact CG2-CG 3.82Å; K248-G250 PolarHBondContact O-N 2.97Å; K248-F251 WeakPolarHBondContact O-CB 3.31Å; K248-F251 PolarHBondContact O-N 2.97Å
249	D	68.3	Low	71.6	Confident	167 Å²	167	69.7 Å²	69.7	89%	0.893	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	132.6	179.6	-67.2	-27	0	0	0	111.6
250	G	55.3	Low	72.2	Confident	51 Å²	51	68.3 Å²	68.3	53%	0.526	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	19.4	-175.2	0	0	0	0	0	114.5	K248 P263	K248-G250 PolarHBondContact O-N 2.97Å; G250-P263 WeakPolarHBondContact O-CD 3.22Å
251	F	63.6	Low	72.3	Confident	57 Å²	57	68.8 Å²	68.8	25%	0.25	39%	0.388	C	S	.	.			trans	-134.1	149.4	170.1	-68.9	-101.8	0	0	0	110.5	Q234 C247 K248 C260 S261 A262	Q234-F251 VanDerWaalsContact NE2-CD1 3.35Å; C247-F251 HydrophobicContact CB-CB 3.58Å; K248-F251 WeakPolarHBondContact O-CB 3.31Å; K248-F251 PolarHBondContact O-N 2.97Å; F251-C260 HydrophobicContact CB-CB 4.19Å; F251-C260 HydrophobicContact CD1-CB 4.43Å; F251-S261 CarbonylContact C-O 3.57Å; F251-S261 VanDerWaalsContact CA-O 3.26Å; F251-S261 WeakPolarHBondContact CA-O 3.5Å; F251-A262 HydrophobicContact CD1-CB 4.12Å; F251-A262 HydrophobicContact CE1-CB 4.02Å
252	T	70.6	Confident	72.2	Confident	76 Å²	76	69.4 Å²	69.4	47%	0.466	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.1	178.8	51.9	0	0	0	0	110	C247 N254 C260 S261	C247-T252 VanDerWaalsContact SG-C 3.56Å; T252-N254 PolarHBondContact O-N 3.45Å; T252-C260 CarbonylContact O-C 3.52Å; T252-C260 WeakPolarHBondContact O-CA 3.38Å; T252-S261 PolarHBondContact N-O 3.45Å; T252-S261 PolarHBondContact O-N 2.9Å; T252-S261 PolarHBondContact OG1-O 2.97Å; T252-S261 VanDerWaalsContact OG1-O 3.07Å
253	L	79.8	Confident	71.3	Confident	78 Å²	78	71.1 Å²	71.1	41%	0.408	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.5	178	-168.1	73.1	0	0	0	109.9	C245 C247 T259	C245-L253 HydrophobicContact CB-CD1 4.07Å; C245-L253 WeakPolarHBondContact O-CD2 2.99Å; C247-L253 WeakPolarHBondContact SG-CA 3.45Å; C247-L253 PolarHBondContact SG-N 3Å; L253-T259 WeakPolarHBondContact CD1-O 3.29Å
254	N	68	Low	69.7	Low	51 Å²	51	74.9 Å²	74.9	27%	0.273	43%	0.432	S	S	.	.			trans	-75.8	168.3	179.9	-69.4	-25.6	0	0	0	111.3	T252 D256 G257 T259 S261	T252-N254 PolarHBondContact O-N 3.45Å; N254-D256 PolarHBondContact O-N 2.91Å; N254-D256 VanDerWaalsContact O-N 3.15Å; N254-G257 PolarHBondContact O-N 3.35Å; N254-T259 WeakPolarHBondContact CB-O 3.19Å; N254-T259 WeakPolarHBondContact CB-OG1 3.39Å; N254-T259 PolarHBondContact N-O 2.98Å; N254-T259 PolarHBondContact ND2-OG1 2.97Å; N254-S261 VanDerWaalsContact CG-OG 3.24Å; N254-S261 PolarHBondContact ND2-OG 3.15Å; N254-S261 VanDerWaalsContact ND2-OG 3.09Å; N254-S261 VanDerWaalsContact OD1-CB 3.3Å; N254-S261 WeakPolarHBondContact OD1-CB 3.29Å; N254-S261 PolarHBondContact OD1-OG 3.33Å
255	N	73.4	Confident	67.7	Low	180 Å²	180	72.1 Å²	72.1	96%	0.963	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.2	-178.9	-67.4	-24.5	0	0	0	113.8	G257	N255-G257 PolarHBondContact O-N 2.82Å
256	D	71.4	Confident	65.9	Low	82 Å²	82	78.3 Å²	78.3	44%	0.439	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.2	173.3	67.6	2.7	0	0	0	113	N254 R258 T259	N254-D256 PolarHBondContact O-N 2.91Å; N254-D256 VanDerWaalsContact O-N 3.15Å; D256-R258 PolarHBondContact O-N 3.05Å; D256-R258 PolarHBondContact OD1-N 3.44Å; D256-T259 PolarHBondContact OD1-N 3.45Å; D256-T259 PolarHBondContact OD1-OG1 3.45Å; D256-T259 VanDerWaalsContact OD1-OG1 3.1Å; D256-T259 WeakPolarHBondContact OD2-CB 3.38Å; D256-T259 VanDerWaalsContact OD2-CG2 3.23Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.4Å; D256-T259 PolarHBondContact OD2-OG1 3.43Å
257	G	78.8	Confident	64.6	Low	31 Å²	31	80.8 Å²	80.8	32%	0.32	49%	0.49	S	S	.	.	S	Bend	trans	67.9	10.5	-178.8	0	0	0	0	0	114.4	C245 N254 N255	C245-G257 WeakPolarHBondContact CB-O 3.05Å; N254-G257 PolarHBondContact O-N 3.35Å; N255-G257 PolarHBondContact O-N 2.82Å
258	R	79.7	Confident	64.3	Low	127 Å²	127	80.3 Å²	80.3	48%	0.479	49%	0.488	S	S	.	.	S	Bend	trans	-128.7	-37.9	-170.8	-66.3	174.9	-176.5	-150.5	-14.1	113.2	D231 Q233 D256	D231-R258 WeakPolarHBondContact OD1-CD 3.31Å; D231-R258 IonicContact OD1-CZ 3.23Å; D231-R258 IonicContact OD1-NE 3.94Å; D231-R258 IonicContact OD2-CZ 2.91Å; D231-R258 IonicContact OD2-NE 3.79Å; D231-R258 PolarHBondContact OD2-NE 3.18Å; D231-R258 IonicContact OD2-NH1 2.9Å; D231-R258 PolarHBondContact OD2-NH1 3.34Å; D231-R258 IonicContact OD2-NH2 2.71Å; D231-R258 PolarHBondContact OD2-NH2 3.05Å; Q233-R258 PolarHBondContact N-O 3.16Å; D256-R258 PolarHBondContact O-N 3.05Å; D256-R258 PolarHBondContact OD1-N 3.44Å
259	T	71.6	Confident	64.6	Low	46 Å²	46	76.9 Å²	76.9	28%	0.282	48%	0.475	S	S	.	.			trans	-102.3	161.9	-178.5	62.7	0	0	0	0	111.9	Q233 L253 N254 D256	Q233-T259 HydrophobicContact CB-CG2 4.45Å; L253-T259 WeakPolarHBondContact CD1-O 3.29Å; N254-T259 WeakPolarHBondContact CB-O 3.19Å; N254-T259 WeakPolarHBondContact CB-OG1 3.39Å; N254-T259 PolarHBondContact N-O 2.98Å; N254-T259 PolarHBondContact ND2-OG1 2.97Å; D256-T259 PolarHBondContact OD1-N 3.45Å; D256-T259 PolarHBondContact OD1-OG1 3.45Å; D256-T259 VanDerWaalsContact OD1-OG1 3.1Å; D256-T259 WeakPolarHBondContact OD2-CB 3.38Å; D256-T259 VanDerWaalsContact OD2-CG2 3.23Å; D256-T259 WeakPolarHBondContact OD2-CG2 3.4Å; D256-T259 PolarHBondContact OD2-OG1 3.43Å
260	C	72.1	Confident	65.5	Low	10 Å²	10	69 Å²	69	7%	0.068	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.8	-169.3	-69.6	0	0	0	0	110.2	Q233 Q234 C247 F251 T252	Q233-C260 PolarHBondContact OE1-O 2.94Å; Q234-C260 HydrophobicContact CG-CB 4.03Å; C247-C260 WeakPolarHBondContact CA-SG 3.3Å; C247-C260 HydrophobicContact CB-CB 3.74Å; C247-C260 WeakPolarHBondContact CB-SG 3.03Å; C247-C260 VanDerWaalsContact SG-CA 3.54Å; C247-C260 WeakPolarHBondContact SG-CB 3.34Å; C247-C260 CovalentContact SG-SG 2.02Å; C247-C260 PolarHBondContact SG-SG 3.31Å; F251-C260 HydrophobicContact CB-CB 4.19Å; F251-C260 HydrophobicContact CD1-CB 4.43Å; T252-C260 CarbonylContact O-C 3.52Å; T252-C260 WeakPolarHBondContact O-CA 3.38Å
261	S	57.4	Low	67.2	Low	49 Å²	49	66.7 Å²	66.7	34%	0.343	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.4	177	-63	0	0	0	0	111.3	F251 T252 N254	F251-S261 CarbonylContact C-O 3.57Å; F251-S261 VanDerWaalsContact CA-O 3.26Å; F251-S261 WeakPolarHBondContact CA-O 3.5Å; T252-S261 PolarHBondContact N-O 3.45Å; T252-S261 PolarHBondContact O-N 2.9Å; T252-S261 PolarHBondContact OG1-O 2.97Å; T252-S261 VanDerWaalsContact OG1-O 3.07Å; N254-S261 VanDerWaalsContact CG-OG 3.24Å; N254-S261 PolarHBondContact ND2-OG 3.15Å; N254-S261 VanDerWaalsContact ND2-OG 3.09Å; N254-S261 VanDerWaalsContact OD1-CB 3.3Å; N254-S261 WeakPolarHBondContact OD1-CB 3.29Å; N254-S261 PolarHBondContact OD1-OG 3.33Å
262	A	54.8	Low	68.7	Low	53 Å²	53	64 Å²	64	44%	0.438	40%	0.397	S	S	.	.			trans	-72.1	145.3	173.3	0	0	0	0	0	110.9	F251 C264	F251-A262 HydrophobicContact CD1-CB 4.12Å; F251-A262 HydrophobicContact CE1-CB 4.02Å; A262-C264 PolarHBondContact O-N 3.24Å
263	P	48.7	Very low	70	Confident	82 Å²	82	60.4 Å²	60.4	53%	0.532	38%	0.375	S	S	.	.			trans	-64	131.3	175.2	22.2	-24.9	0	0	0	110.1	G250 G265	G250-P263 WeakPolarHBondContact O-CD 3.22Å; P263-G265 PolarHBondContact O-N 3.46Å
264	C	44.8	Very low	70.9	Confident	130 Å²	130	56.7 Å²	56.7	88%	0.878	36%	0.356	S	S	*	.	S	Bend	trans	-64.9	101.7	-176.3	-62.4	0	0	0	0	111.6	A262	A262-C264 PolarHBondContact O-N 3.24Å
265	G	41.3	Very low	72.3	Confident	62 Å²	62	54.2 Å²	54.2	64%	0.639	34%	0.343	S	S	*	.	S	Bend	trans	-151.5	94.4	162.3	0	0	0	0	0	108.3	P263	P263-G265 PolarHBondContact O-N 3.46Å
266	N	47.1	Very low	73.4	Confident	143 Å²	143	45.7 Å²	45.7	77%	0.765	30%	0.297	S	S	*	.			trans	50.2	92.8	-178	-63.5	-29.5	0	0	0	113.7	A268	N266-A268 PolarHBondContact O-N 2.03Å
267	A	58.1	Low	74.5	Confident	76 Å²	76	41.8 Å²	41.8	63%	0.628	28%	0.276	S	S	*	.			trans	-65.8	70	-179.8	0	0	0	0	0	112.6
268	A	73	Confident	75.3	Confident	19 Å²	19	40.3 Å²	40.3	16%	0.157	26%	0.261	C	S	.	.			trans	-55.7	141.7	166.3	0	0	0	0	0	108.9	N266 K305 N306 V371	N266-A268 PolarHBondContact O-N 2.03Å; A268-K305 WeakPolarHBondContact CB-O 3.5Å; A268-N306 VanDerWaalsContact CA-O 3.25Å; A268-N306 WeakPolarHBondContact CA-O 3.47Å; A268-V371 HydrophobicContact CB-CG1 4.03Å; A268-V371 HydrophobicContact CB-CG2 3.93Å; A268-V371 WeakPolarHBondContact O-CG1 3.31Å
269	I	79.4	Confident	75.9	Confident	45 Å²	45	41.6 Å²	41.6	23%	0.231	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.5	-179.9	-175.3	170.8	0	0	0	110.1	A271 N306 A307 H308 R368 V374	I269-A271 HydrophobicContact CG1-CB 4.49Å; I269-N306 PolarHBondContact N-O 3.06Å; I269-N306 VanDerWaalsContact N-O 3.07Å; I269-A307 HydrophobicContact CG2-CB 3.62Å; I269-A307 CarbonylContact O-C 3.41Å; I269-A307 VanDerWaalsContact O-CA 3.32Å; I269-A307 WeakPolarHBondContact O-CA 3.45Å; I269-H308 PolarHBondContact O-N 3.21Å; I269-R368 PolarHBondContact O-NH2 3.42Å; I269-V374 HydrophobicContact CD1-CB 4.24Å; I269-V374 HydrophobicContact CD1-CG2 3.63Å; I269-V374 HydrophobicContact CG1-CG2 4.09Å
270	D	86.7	Confident	76.7	Confident	0 Å²	0	42 Å²	42	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	105.7	169	-66.6	-11.5	0	0	0	107.9	H308 L324 F361 A367 R368 V371 Q372 K373 V374	D270-H308 WeakPolarHBondContact OD1-CB 3.42Å; D270-H308 IonicContact OD1-CG 2.79Å; D270-H308 IonicContact OD1-ND1 2.84Å; D270-L324 HydrophobicContact CB-CD1 4.09Å; D270-L324 HydrophobicContact CB-CD2 3.94Å; D270-F361 HydrophobicContact CB-CE1 4.3Å; D270-A367 VanDerWaalsContact OD2-CA 3.31Å; D270-A367 WeakPolarHBondContact OD2-CA 3.39Å; D270-R368 IonicContact OD1-CZ 2.71Å; D270-R368 VanDerWaalsContact OD1-CZ 3.25Å; D270-R368 IonicContact OD1-NE 3.25Å; D270-R368 PolarHBondContact OD1-NE 3.39Å; D270-R368 IonicContact OD1-NH2 3.97Å; D270-R368 PolarHBondContact OD1-NH2 2.8Å; D270-R368 PolarHBondContact OD2-N 2.9Å; D270-V371 HydrophobicContact CB-CG1 4.34Å; D270-Q372 PolarHBondContact N-O 2.92Å; D270-K373 HydrophobicContact CB-CG 4.49Å; D270-K373 WeakPolarHBondContact O-CA 3.39Å; D270-V374 PolarHBondContact O-N 3.02Å
271	A	90.4	Very high	77.6	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.033	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.2	-175.8	0	0	0	0	0	111.2	I269 H308 V309 G310 L324 V374	I269-A271 HydrophobicContact CG1-CB 4.49Å; A271-H308 PolarHBondContact N-O 2.97Å; A271-V309 CarbonylContact O-C 3.57Å; A271-V309 VanDerWaalsContact O-CA 3.27Å; A271-V309 WeakPolarHBondContact O-CA 3.42Å; A271-G310 PolarHBondContact O-N 3.27Å; A271-L324 WeakPolarHBondContact O-CD2 3.45Å; A271-V374 CarbonylContact C-O 3.43Å; A271-V374 WeakPolarHBondContact CA-O 3.49Å
272	V	96.6	Very high	79.2	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.8	176.4	177.5	0	0	0	0	110	V274 G310 V312 L324 T356 V360 F361 V374 A375 I376	V272-V274 HydrophobicContact CG1-CG2 4.16Å; V272-G310 WeakPolarHBondContact CA-O 3.14Å; V272-V312 HydrophobicContact CG1-CG2 3.96Å; V272-L324 HydrophobicContact CG2-CD1 4.04Å; V272-L324 HydrophobicContact CG2-CD2 3.84Å; V272-L324 HydrophobicContact CG2-CG 3.9Å; V272-T356 HydrophobicContact CG1-CG2 4.32Å; V272-V360 HydrophobicContact CB-CG1 4.5Å; V272-V360 HydrophobicContact CG1-CG1 3.99Å; V272-V360 HydrophobicContact CG2-CG1 3.68Å; V272-F361 HydrophobicContact CB-CE2 3.91Å; V272-F361 HydrophobicContact CB-CZ 3.67Å; V272-F361 HydrophobicContact CG2-CD1 4.47Å; V272-F361 HydrophobicContact CG2-CD2 4.44Å; V272-F361 HydrophobicContact CG2-CE1 3.75Å; V272-F361 HydrophobicContact CG2-CE2 3.72Å; V272-F361 HydrophobicContact CG2-CZ 3.33Å; V272-V374 PolarHBondContact N-O 3.32Å; V272-A375 WeakPolarHBondContact O-CA 3.3Å; V272-I376 PolarHBondContact O-N 3.34Å
273	F	96.8	Very high	81	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.4	168.1	-66.8	-79.7	0	0	0	109.7	I275 W292 I293 I296 I297 V309 G310 L311 V312 I376	F273-I275 HydrophobicContact CB-CD1 3.96Å; F273-I275 HydrophobicContact CB-CG1 3.93Å; F273-I275 HydrophobicContact CD1-CD1 4.46Å; F273-W292 HydrophobicContact CD1-CZ3 4.41Å; F273-I293 HydrophobicContact CD1-CG1 4.33Å; F273-I293 HydrophobicContact CD1-CG2 4.44Å; F273-I293 HydrophobicContact CD2-CG2 4.04Å; F273-I293 HydrophobicContact CE1-CG2 4.43Å; F273-I293 HydrophobicContact CE2-CG2 4.02Å; F273-I293 HydrophobicContact CG-CG2 4.24Å; F273-I293 HydrophobicContact CZ-CG2 4.22Å; F273-I296 HydrophobicContact CE1-CB 4.25Å; F273-I296 HydrophobicContact CE1-CD1 3.81Å; F273-I296 HydrophobicContact CE1-CG2 4.13Å; F273-I296 HydrophobicContact CZ-CB 3.92Å; F273-I296 HydrophobicContact CZ-CD1 4.37Å; F273-I296 HydrophobicContact CZ-CG2 3.67Å; F273-I297 HydrophobicContact CE2-CG1 4.19Å; F273-V309 HydrophobicContact CD2-CG1 3.95Å; F273-V309 HydrophobicContact CE2-CG1 3.72Å; F273-G310 PolarHBondContact N-O 3.38Å; F273-L311 HydrophobicContact CB-CD1 4.28Å; F273-L311 HydrophobicContact CB-CG 4.03Å; F273-L311 WeakPolarHBondContact O-CA 3.37Å; F273-V312 PolarHBondContact O-N 3.26Å; F273-I376 HydrophobicContact CD1-CB 4.13Å; F273-I376 HydrophobicContact CD1-CD1 4.25Å; F273-I376 HydrophobicContact CD1-CG2 4.36Å; F273-I376 HydrophobicContact CE1-CB 4.43Å; F273-I376 HydrophobicContact CE1-CD1 3.75Å; F273-I376 HydrophobicContact CZ-CD1 4.27Å
274	V	98	Very high	83	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	100.5	175.5	-173.2	0	0	0	0	107.7	V272 V312 Y314 A352 T356 I376 V377 F378	V272-V274 HydrophobicContact CG1-CG2 4.16Å; V274-V312 CarbonylContact C-O 3.55Å; V274-V312 WeakPolarHBondContact CA-O 3.34Å; V274-Y314 HydrophobicContact CG1-CD1 3.92Å; V274-Y314 HydrophobicContact CG1-CE1 4.04Å; V274-A352 HydrophobicContact CG1-CB 3.89Å; V274-T356 HydrophobicContact CG2-CG2 3.94Å; V274-T356 WeakPolarHBondContact CG2-OG1 3.49Å; V274-I376 PolarHBondContact N-O 3.33Å; V274-V377 HydrophobicContact CB-CG1 4.47Å; V274-V377 HydrophobicContact CB-CG2 4.21Å; V274-V377 HydrophobicContact CG2-CG2 4.48Å; V274-V377 CarbonylContact O-C 3.59Å; V274-V377 WeakPolarHBondContact O-CA 3.4Å; V274-F378 PolarHBondContact O-N 2.84Å
275	I	97.6	Very high	85.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.7	-161.1	-56.5	-60.9	0	0	0	111.7	F273 G277 F286 V289 W292 I293 V312 Q313 Y314 F378	F273-I275 HydrophobicContact CB-CD1 3.96Å; F273-I275 HydrophobicContact CB-CG1 3.93Å; F273-I275 HydrophobicContact CD1-CD1 4.46Å; I275-G277 PolarHBondContact O-N 2.74Å; I275-F286 HydrophobicContact CG2-CE2 4.14Å; I275-V289 HydrophobicContact CD1-CG1 4.42Å; I275-V289 HydrophobicContact CG2-CG1 3.6Å; I275-W292 HydrophobicContact CD1-CZ3 4.24Å; I275-I293 HydrophobicContact CD1-CD1 3.79Å; I275-I293 HydrophobicContact CD1-CG1 4.12Å; I275-I293 HydrophobicContact CG1-CD1 3.72Å; I275-V312 PolarHBondContact N-O 2.81Å; I275-Q313 CarbonylContact O-C 3.54Å; I275-Q313 WeakPolarHBondContact O-CA 3.18Å; I275-Y314 VanDerWaalsContact C-CD1 3.47Å; I275-Y314 VanDerWaalsContact C-CE1 3.47Å; I275-Y314 VanDerWaalsContact O-CD1 3.29Å; I275-Y314 WeakPolarHBondContact O-CD1 3.37Å; I275-Y314 PolarHBondContact O-N 2.95Å; I275-F378 HydrophobicContact CD1-CB 3.71Å
276	D	96.4	Very high	87.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	119	170.3	-168.8	-7.1	0	0	0	111.3	S278 V281 Y314 T347 F378 T379 D380	D276-S278 WeakPolarHBondContact OD1-CA 3.21Å; D276-S278 WeakPolarHBondContact OD1-CB 3.19Å; D276-S278 PolarHBondContact OD1-N 3.18Å; D276-S278 PolarHBondContact OD1-OG 2.84Å; D276-S278 PolarHBondContact OD2-OG 3.25Å; D276-V281 HydrophobicContact CB-CG2 4.31Å; D276-Y314 HydrophobicContact CB-CE1 3.98Å; D276-Y314 HydrophobicContact CB-CE2 4.26Å; D276-Y314 VanDerWaalsContact N-CE1 3.3Å; D276-T347 VanDerWaalsContact OD2-CG2 3.29Å; D276-T347 WeakPolarHBondContact OD2-CG2 3.09Å; D276-F378 HydrophobicContact CB-CD1 4.39Å; D276-F378 WeakPolarHBondContact CB-O 3.38Å; D276-F378 PolarHBondContact N-O 2.92Å; D276-T379 PolarHBondContact OD2-OG1 2.97Å; D276-D380 PolarHBondContact OD2-N 2.04Å
277	G	95.6	Very high	89.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.			trans	-114.3	20.3	173.4	0	0	0	0	0	112.6	I275 Y314 Y342 E344	I275-G277 PolarHBondContact O-N 2.74Å; G277-Y314 PolarHBondContact N-O 3.28Å; G277-Y342 VanDerWaalsContact O-CE2 3.3Å; G277-Y342 WeakPolarHBondContact O-CE2 3.15Å; G277-E344 PolarHBondContact O-N 3.47Å
278	S	95.1	Very high	91.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-69.1	165.7	-179.4	69.2	0	0	0	0	113.1	D276 S280 V281 Y342 G346 T347	D276-S278 WeakPolarHBondContact OD1-CA 3.21Å; D276-S278 WeakPolarHBondContact OD1-CB 3.19Å; D276-S278 PolarHBondContact OD1-N 3.18Å; D276-S278 PolarHBondContact OD1-OG 2.84Å; D276-S278 PolarHBondContact OD2-OG 3.25Å; S278-S280 PolarHBondContact O-N 3.24Å; S278-S280 PolarHBondContact OG-OG 3.15Å; S278-V281 WeakPolarHBondContact O-CB 3.48Å; S278-V281 PolarHBondContact O-N 3.11Å; S278-Y342 WeakPolarHBondContact O-CE2 3.38Å; S278-Y342 PolarHBondContact O-OH 3.14Å; S278-G346 WeakPolarHBondContact CB-O 3.49Å; S278-T347 WeakPolarHBondContact CB-OG1 3.02Å; S278-T347 PolarHBondContact OG-OG1 3.31Å; S278-T347 VanDerWaalsContact OG-OG1 3.04Å
279	K	91.9	Very high	92.2	Very high	154 Å²	154	35.9 Å²	35.9	67%	0.67	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-30	-177.1	-172.3	176.8	178.3	-179.8	0	113.3	V281 R282 Y342 R345	K279-V281 VanDerWaalsContact C-N 3.28Å; K279-V281 PolarHBondContact O-N 3.24Å; K279-R282 PolarHBondContact O-N 3.28Å; K279-Y342 VanDerWaalsContact CA-OH 3.26Å; K279-Y342 WeakPolarHBondContact CA-OH 3.38Å; K279-Y342 PolarHBondContact O-OH 3.21Å; K279-R345 WeakPolarHBondContact CB-O 3.36Å; K279-R345 PolarHBondContact N-O 3.3Å
280	S	89.6	Confident	92.8	Very high	55 Å²	55	34.5 Å²	34.5	39%	0.385	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.4	-178.4	38.8	0	0	0	0	112.4	S278 R282 D380	S278-S280 PolarHBondContact O-N 3.24Å; S278-S280 PolarHBondContact OG-OG 3.15Å; S280-R282 VanDerWaalsContact C-N 3.29Å; S280-R282 WeakPolarHBondContact O-CG 3.43Å; S280-R282 PolarHBondContact O-N 3.47Å; S280-D380 WeakPolarHBondContact CB-OD1 3.35Å; S280-D380 WeakPolarHBondContact CB-OD2 3.46Å; S280-D380 VanDerWaalsContact O-OD2 3.06Å; S280-D380 PolarHBondContact OG-OD1 2.79Å
281	V	90.5	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-43.6	-179.2	-180	0	0	0	0	110.5	D276 S278 K279 N285 F286 Y342 D380 F432	D276-V281 HydrophobicContact CB-CG2 4.31Å; S278-V281 WeakPolarHBondContact O-CB 3.48Å; S278-V281 PolarHBondContact O-N 3.11Å; K279-V281 VanDerWaalsContact C-N 3.28Å; K279-V281 PolarHBondContact O-N 3.24Å; V281-N285 HydrophobicContact CG1-CB 4.15Å; V281-N285 WeakPolarHBondContact O-CB 3.47Å; V281-N285 PolarHBondContact O-ND2 3.19Å; V281-F286 HydrophobicContact CG1-CB 4.18Å; V281-F286 HydrophobicContact CG1-CD2 4.4Å; V281-Y342 HydrophobicContact CB-CE2 4.36Å; V281-D380 WeakPolarHBondContact CA-OD2 3.38Å; V281-D380 HydrophobicContact CG2-CB 3.98Å; V281-D380 VanDerWaalsContact CG2-CG 3.48Å; V281-D380 WeakPolarHBondContact CG2-OD1 3.36Å; V281-D380 PolarHBondContact N-OD1 3.03Å; V281-D380 PolarHBondContact N-OD2 3.01Å; V281-F432 HydrophobicContact CG1-CE1 4.15Å; V281-F432 HydrophobicContact CG1-CZ 4.22Å
282	R	91.3	Very high	92.7	Very high	144 Å²	144	40.3 Å²	40.3	54%	0.543	19%	0.192	S	C	.	.			trans	73.1	147.3	-171.7	-45.9	179.4	-178	-162	-1.9	113.8	K279 S280 E284 N285 F286 Y342	K279-R282 PolarHBondContact O-N 3.28Å; S280-R282 VanDerWaalsContact C-N 3.29Å; S280-R282 WeakPolarHBondContact O-CG 3.43Å; S280-R282 PolarHBondContact O-N 3.47Å; R282-E284 VanDerWaalsContact C-N 3.33Å; R282-E284 HydrophobicContact CB-CG 4.5Å; R282-E284 WeakPolarHBondContact CB-OE2 3.5Å; R282-E284 VanDerWaalsContact CD-OE1 3.24Å; R282-E284 WeakPolarHBondContact CD-OE1 3.04Å; R282-E284 PolarHBondContact O-N 2.92Å; R282-N285 PolarHBondContact O-N 3.05Å; R282-F286 PolarHBondContact O-N 2.96Å; R282-Y342 VanDerWaalsContact CA-OH 3.31Å; R282-Y342 WeakPolarHBondContact CA-OH 3.31Å; R282-Y342 PolarHBondContact N-OH 2.88Å
283	P	91.9	Very high	92.3	Very high	72 Å²	72	40.3 Å²	40.3	47%	0.468	19%	0.192	S	C	.	.	H	α-helix	trans	-56.6	-41.5	-177.6	-25.4	34.2	0	0	0	114.2	N285 F286 E287 Y342	P283-N285 VanDerWaalsContact C-N 3.34Å; P283-N285 PolarHBondContact O-N 3.46Å; P283-F286 PolarHBondContact O-N 2.84Å; P283-E287 PolarHBondContact O-N 3.05Å; P283-Y342 HydrophobicContact CG-CD1 3.98Å; P283-Y342 HydrophobicContact CG-CE1 3.77Å
284	E	90.9	Very high	91.9	Very high	107 Å²	107	41.2 Å²	41.2	50%	0.5	20%	0.197	S	C	.	.	H	α-helix	trans	-64.5	-36.6	-178.2	61.3	-86	-159.8	0	0	113	R282	R282-E284 VanDerWaalsContact C-N 3.33Å; R282-E284 HydrophobicContact CB-CG 4.5Å; R282-E284 WeakPolarHBondContact CB-OE2 3.5Å; R282-E284 VanDerWaalsContact CD-OE1 3.24Å; R282-E284 WeakPolarHBondContact CD-OE1 3.04Å; R282-E284 PolarHBondContact O-N 2.92Å
285	N	89.6	Confident	91.1	Very high	33 Å²	33	44.3 Å²	44.3	18%	0.176	21%	0.211	C	C	.	.	H	α-helix	trans	-80.4	-31.1	176.6	-63.5	-35.2	0	0	0	111.2	V281 R282 P283 E287 L288 V289 F432	V281-N285 HydrophobicContact CG1-CB 4.15Å; V281-N285 WeakPolarHBondContact O-CB 3.47Å; V281-N285 PolarHBondContact O-ND2 3.19Å; R282-N285 PolarHBondContact O-N 3.05Å; P283-N285 VanDerWaalsContact C-N 3.34Å; P283-N285 PolarHBondContact O-N 3.46Å; N285-E287 PolarHBondContact O-N 3.42Å; N285-L288 CarbonylContact O-C 3.55Å; N285-L288 WeakPolarHBondContact O-CA 3.3Å; N285-L288 VanDerWaalsContact O-CB 3.25Å; N285-L288 WeakPolarHBondContact O-CB 3.41Å; N285-L288 PolarHBondContact O-N 2.88Å; N285-V289 PolarHBondContact O-N 3.34Å; N285-F432 HydrophobicContact CB-CB 4.5Å; N285-F432 HydrophobicContact CB-CD1 3.72Å; N285-F432 HydrophobicContact CB-CD2 4.07Å; N285-F432 HydrophobicContact CB-CE1 3.79Å; N285-F432 HydrophobicContact CB-CE2 4.15Å; N285-F432 HydrophobicContact CB-CG 3.84Å; N285-F432 HydrophobicContact CB-CZ 3.99Å
286	F	93.5	Very high	90.2	Very high	2 Å²	2	45 Å²	45	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-35.6	175.3	-168.8	-110.7	0	0	0	111.7	I275 V281 R282 P283 L288 V289 K290 M340 Y342	I275-F286 HydrophobicContact CG2-CE2 4.14Å; V281-F286 HydrophobicContact CG1-CB 4.18Å; V281-F286 HydrophobicContact CG1-CD2 4.4Å; R282-F286 PolarHBondContact O-N 2.96Å; P283-F286 PolarHBondContact O-N 2.84Å; F286-L288 VanDerWaalsContact C-N 3.29Å; F286-L288 PolarHBondContact O-N 3.19Å; F286-V289 WeakPolarHBondContact O-CB 3.39Å; F286-V289 PolarHBondContact O-N 3.24Å; F286-V289 VanDerWaalsContact O-N 3.14Å; F286-K290 HydrophobicContact CE1-CD 4.43Å; F286-K290 HydrophobicContact CE1-CG 4.39Å; F286-K290 PolarHBondContact O-N 3.12Å; F286-M340 HydrophobicContact CE1-CB 4.45Å; F286-M340 HydrophobicContact CZ-CE 3.82Å; F286-Y342 HydrophobicContact CB-CD2 3.98Å; F286-Y342 HydrophobicContact CB-CE2 4.31Å; F286-Y342 HydrophobicContact CD1-CD2 4Å; F286-Y342 HydrophobicContact CD1-CG 4.4Å; F286-Y342 HydrophobicContact CD2-CD2 4.02Å; F286-Y342 AromaticContact CG-CD2 3.73Å; F286-Y342 HydrophobicContact CG-CD2 3.73Å; F286-Y342 HydrophobicContact CG-CE2 4.39Å
287	E	93.2	Very high	89.6	Confident	89 Å²	89	45 Å²	45	42%	0.416	22%	0.215	S	C	.	.	H	α-helix	trans	-64.8	-30.2	170.4	-70.4	-57.5	132.7	0	0	113.2	P283 N285 K290 K291	P283-E287 PolarHBondContact O-N 3.05Å; N285-E287 PolarHBondContact O-N 3.42Å; E287-K290 WeakPolarHBondContact OE1-CE 3.45Å; E287-K290 IonicContact OE1-NZ 2.71Å; E287-K290 PolarHBondContact OE1-NZ 2.86Å; E287-K291 VanDerWaalsContact O-CG 3.31Å; E287-K291 WeakPolarHBondContact O-CG 3.48Å; E287-K291 PolarHBondContact O-N 3.09Å
288	L	89	Confident	88.9	Confident	49 Å²	49	48.2 Å²	48.2	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-70.3	-37.4	171	-58.6	176.6	0	0	0	111.4	N285 F286 K291 W292 F432 M435	N285-L288 CarbonylContact O-C 3.55Å; N285-L288 WeakPolarHBondContact O-CA 3.3Å; N285-L288 VanDerWaalsContact O-CB 3.25Å; N285-L288 WeakPolarHBondContact O-CB 3.41Å; N285-L288 PolarHBondContact O-N 2.88Å; F286-L288 VanDerWaalsContact C-N 3.29Å; F286-L288 PolarHBondContact O-N 3.19Å; L288-K291 HydrophobicContact CD2-CD 4.49Å; L288-K291 WeakPolarHBondContact O-CB 3.41Å; L288-K291 PolarHBondContact O-N 3.2Å; L288-W292 WeakPolarHBondContact O-CB 3.41Å; L288-W292 PolarHBondContact O-N 3.15Å; L288-F432 HydrophobicContact CD1-CB 3.8Å; L288-M435 HydrophobicContact CB-CE 4.05Å; L288-M435 WeakPolarHBondContact O-CE 3.17Å
289	V	91.2	Very high	87.7	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-45.9	175.4	177.6	0	0	0	0	110.8	I275 N285 F286 K291 W292 I293 F378 F432 M435	I275-V289 HydrophobicContact CD1-CG1 4.42Å; I275-V289 HydrophobicContact CG2-CG1 3.6Å; N285-V289 PolarHBondContact O-N 3.34Å; F286-V289 WeakPolarHBondContact O-CB 3.39Å; F286-V289 PolarHBondContact O-N 3.24Å; F286-V289 VanDerWaalsContact O-N 3.14Å; V289-K291 VanDerWaalsContact C-N 3.29Å; V289-K291 PolarHBondContact O-N 3.38Å; V289-W292 WeakPolarHBondContact O-CB 3.38Å; V289-W292 PolarHBondContact O-N 3.17Å; V289-W292 VanDerWaalsContact O-N 3.07Å; V289-I293 HydrophobicContact CG1-CD1 4.06Å; V289-I293 HydrophobicContact CG1-CG1 4.48Å; V289-I293 WeakPolarHBondContact O-CG1 3.37Å; V289-I293 PolarHBondContact O-N 3.06Å; V289-F378 HydrophobicContact CG1-CD1 4.3Å; V289-F378 HydrophobicContact CG1-CE1 4.44Å; V289-F378 HydrophobicContact CG2-CD1 4.22Å; V289-F378 HydrophobicContact CG2-CE1 3.55Å; V289-F378 HydrophobicContact CG2-CE2 4.33Å; V289-F378 HydrophobicContact CG2-CZ 3.62Å; V289-F432 HydrophobicContact CG2-CD1 4.25Å; V289-F432 HydrophobicContact CG2-CE1 4.03Å; V289-M435 HydrophobicContact CG2-CE 4.1Å; V289-M435 HydrophobicContact CG2-SD 4.34Å
290	K	93.9	Very high	86.8	Confident	16 Å²	16	46.4 Å²	46.4	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-42.3	172.8	-69.4	-179.4	-173.1	176.2	0	112.3	F286 E287 W292 N294 V337 K338 M340	F286-K290 HydrophobicContact CE1-CD 4.43Å; F286-K290 HydrophobicContact CE1-CG 4.39Å; F286-K290 PolarHBondContact O-N 3.12Å; E287-K290 WeakPolarHBondContact OE1-CE 3.45Å; E287-K290 IonicContact OE1-NZ 2.71Å; E287-K290 PolarHBondContact OE1-NZ 2.86Å; K290-W292 VanDerWaalsContact C-N 3.35Å; K290-N294 WeakPolarHBondContact O-CB 3.5Å; K290-N294 VanDerWaalsContact O-CG 3.3Å; K290-N294 PolarHBondContact O-N 3.23Å; K290-N294 VanDerWaalsContact O-N 3.12Å; K290-N294 PolarHBondContact O-ND2 2.79Å; K290-V337 HydrophobicContact CB-CG1 4.04Å; K290-V337 HydrophobicContact CG-CG1 4.28Å; K290-K338 PolarHBondContact NZ-O 2.85Å; K290-M340 WeakPolarHBondContact CE-O 3.47Å; K290-M340 PolarHBondContact NZ-O 3.12Å
291	K	88.9	Confident	86.1	Confident	124 Å²	124	50.2 Å²	50.2	54%	0.539	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-41.3	175.7	-73.7	171.6	-173.9	173.8	0	111.6	E287 L288 V289 N294 Q295	E287-K291 VanDerWaalsContact O-CG 3.31Å; E287-K291 WeakPolarHBondContact O-CG 3.48Å; E287-K291 PolarHBondContact O-N 3.09Å; L288-K291 HydrophobicContact CD2-CD 4.49Å; L288-K291 WeakPolarHBondContact O-CB 3.41Å; L288-K291 PolarHBondContact O-N 3.2Å; V289-K291 VanDerWaalsContact C-N 3.29Å; V289-K291 PolarHBondContact O-N 3.38Å; K291-N294 WeakPolarHBondContact O-CB 3.43Å; K291-N294 PolarHBondContact O-N 2.54Å; K291-Q295 WeakPolarHBondContact O-CG 3.43Å; K291-Q295 PolarHBondContact O-N 3.4Å
292	W	85.2	Confident	85.6	Confident	2 Å²	2	51 Å²	51	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-44.9	177.9	174.3	80.7	0	0	0	112.7	F273 I275 L288 V289 K290 N294 Q295 I296 I376 F378 V404 M435 A439 L442	F273-W292 HydrophobicContact CD1-CZ3 4.41Å; I275-W292 HydrophobicContact CD1-CZ3 4.24Å; L288-W292 WeakPolarHBondContact O-CB 3.41Å; L288-W292 PolarHBondContact O-N 3.15Å; V289-W292 WeakPolarHBondContact O-CB 3.38Å; V289-W292 PolarHBondContact O-N 3.17Å; V289-W292 VanDerWaalsContact O-N 3.07Å; K290-W292 VanDerWaalsContact C-N 3.35Å; W292-N294 VanDerWaalsContact C-N 3.3Å; W292-N294 PolarHBondContact O-N 3.24Å; W292-Q295 WeakPolarHBondContact O-CB 3.42Å; W292-Q295 PolarHBondContact O-N 3.27Å; W292-Q295 VanDerWaalsContact O-N 3.09Å; W292-I296 HydrophobicContact CD2-CD1 4.01Å; W292-I296 HydrophobicContact CE3-CD1 4.29Å; W292-I296 HydrophobicContact CH2-CD1 3.78Å; W292-I296 HydrophobicContact CZ2-CD1 3.44Å; W292-I296 VanDerWaalsContact CZ2-CD1 3.44Å; W292-I296 HydrophobicContact CZ3-CD1 4.19Å; W292-I296 PolarHBondContact O-N 2.77Å; W292-I376 HydrophobicContact CH2-CG2 3.72Å; W292-F378 HydrophobicContact CH2-CD2 4.48Å; W292-F378 HydrophobicContact CZ3-CD2 4.2Å; W292-V404 HydrophobicContact CH2-CG2 4.11Å; W292-V404 HydrophobicContact CZ2-CG1 4.35Å; W292-V404 HydrophobicContact CZ2-CG2 4.07Å; W292-M435 HydrophobicContact CB-CE 3.69Å; W292-M435 HydrophobicContact CB-CG 4.28Å; W292-M435 HydrophobicContact CB-SD 3.86Å; W292-M435 VanDerWaalsContact CD1-CG 3.47Å; W292-M435 VanDerWaalsContact CD1-O 3.3Å; W292-M435 HydrophobicContact CD2-CG 4.14Å; W292-M435 HydrophobicContact CD2-SD 3.9Å; W292-M435 HydrophobicContact CE3-SD 4.34Å; W292-M435 HydrophobicContact CG-CE 4.15Å; W292-M435 HydrophobicContact CG-CG 3.73Å; W292-M435 HydrophobicContact CG-SD 3.67Å; W292-M435 PolarHBondContact NE1-O 3.09Å; W292-A439 HydrophobicContact CG-CB 4.42Å; W292-L442 HydrophobicContact CZ2-CD1 4.44Å
293	I	88.5	Confident	85.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-46.2	173.9	-64	164.6	0	0	0	110.3	F273 I275 V289 Q295 I296 I297 L311 V337	F273-I293 HydrophobicContact CD1-CG1 4.33Å; F273-I293 HydrophobicContact CD1-CG2 4.44Å; F273-I293 HydrophobicContact CD2-CG2 4.04Å; F273-I293 HydrophobicContact CE1-CG2 4.43Å; F273-I293 HydrophobicContact CE2-CG2 4.02Å; F273-I293 HydrophobicContact CG-CG2 4.24Å; F273-I293 HydrophobicContact CZ-CG2 4.22Å; I275-I293 HydrophobicContact CD1-CD1 3.79Å; I275-I293 HydrophobicContact CD1-CG1 4.12Å; I275-I293 HydrophobicContact CG1-CD1 3.72Å; V289-I293 HydrophobicContact CG1-CD1 4.06Å; V289-I293 HydrophobicContact CG1-CG1 4.48Å; V289-I293 WeakPolarHBondContact O-CG1 3.37Å; V289-I293 PolarHBondContact O-N 3.06Å; I293-Q295 VanDerWaalsContact C-N 3.29Å; I293-Q295 PolarHBondContact O-N 3.24Å; I293-I296 PolarHBondContact O-N 2.88Å; I293-I296 VanDerWaalsContact O-N 3.1Å; I293-I297 HydrophobicContact CG2-CD1 3.73Å; I293-I297 HydrophobicContact CG2-CG1 4.38Å; I293-I297 WeakPolarHBondContact O-CG1 3.4Å; I293-I297 PolarHBondContact O-N 3.33Å; I293-L311 HydrophobicContact CD1-CD1 4.02Å; I293-L311 HydrophobicContact CG2-CD1 4.19Å; I293-V337 HydrophobicContact CB-CG1 4.24Å; I293-V337 HydrophobicContact CG2-CG1 4.17Å; I293-V337 HydrophobicContact CG2-CG2 3.82Å
294	N	88	Confident	84.7	Confident	18 Å²	18	48.6 Å²	48.6	10%	0.096	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-36	177.5	-75.9	-39	0	0	0	112.9	K290 K291 W292 I296 I297 D298 K334	K290-N294 WeakPolarHBondContact O-CB 3.5Å; K290-N294 VanDerWaalsContact O-CG 3.3Å; K290-N294 PolarHBondContact O-N 3.23Å; K290-N294 VanDerWaalsContact O-N 3.12Å; K290-N294 PolarHBondContact O-ND2 2.79Å; K291-N294 WeakPolarHBondContact O-CB 3.43Å; K291-N294 PolarHBondContact O-N 2.54Å; W292-N294 VanDerWaalsContact C-N 3.3Å; W292-N294 PolarHBondContact O-N 3.24Å; N294-I296 VanDerWaalsContact C-N 3.3Å; N294-I296 PolarHBondContact O-N 2.67Å; N294-I297 PolarHBondContact O-N 2.96Å; N294-D298 VanDerWaalsContact O-CG 3.31Å; N294-D298 PolarHBondContact O-N 2.78Å; N294-K334 WeakPolarHBondContact OD1-CA 3.29Å; N294-K334 WeakPolarHBondContact OD1-CB 3.15Å; N294-K334 WeakPolarHBondContact OD1-CG 3.24Å
295	Q	81.6	Confident	83.9	Confident	65 Å²	65	51.5 Å²	51.5	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-35.3	175.3	-73.1	170.3	-7.8	0	0	112.1	K291 W292 I293 K299 A439	K291-Q295 WeakPolarHBondContact O-CG 3.43Å; K291-Q295 PolarHBondContact O-N 3.4Å; W292-Q295 WeakPolarHBondContact O-CB 3.42Å; W292-Q295 PolarHBondContact O-N 3.27Å; W292-Q295 VanDerWaalsContact O-N 3.09Å; I293-Q295 VanDerWaalsContact C-N 3.29Å; I293-Q295 PolarHBondContact O-N 3.24Å; Q295-K299 WeakPolarHBondContact O-CG 3.29Å; Q295-A439 HydrophobicContact CB-CB 3.95Å; Q295-A439 VanDerWaalsContact OE1-CB 3.26Å
296	I	78.9	Confident	83.4	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-74	-45.8	176.2	-61.8	170.6	0	0	0	110.4	F273 W292 I293 N294 D298 K299 L300 A439 L442	F273-I296 HydrophobicContact CE1-CB 4.25Å; F273-I296 HydrophobicContact CE1-CD1 3.81Å; F273-I296 HydrophobicContact CE1-CG2 4.13Å; F273-I296 HydrophobicContact CZ-CB 3.92Å; F273-I296 HydrophobicContact CZ-CD1 4.37Å; F273-I296 HydrophobicContact CZ-CG2 3.67Å; W292-I296 HydrophobicContact CD2-CD1 4.01Å; W292-I296 HydrophobicContact CE3-CD1 4.29Å; W292-I296 HydrophobicContact CH2-CD1 3.78Å; W292-I296 HydrophobicContact CZ2-CD1 3.44Å; W292-I296 VanDerWaalsContact CZ2-CD1 3.44Å; W292-I296 HydrophobicContact CZ3-CD1 4.19Å; W292-I296 PolarHBondContact O-N 2.77Å; I293-I296 PolarHBondContact O-N 2.88Å; I293-I296 VanDerWaalsContact O-N 3.1Å; N294-I296 VanDerWaalsContact C-N 3.3Å; N294-I296 PolarHBondContact O-N 2.67Å; I296-D298 PolarHBondContact O-N 2.97Å; I296-K299 WeakPolarHBondContact O-CB 3.43Å; I296-K299 PolarHBondContact O-N 2.9Å; I296-L300 PolarHBondContact O-N 3.13Å; I296-A439 HydrophobicContact CG1-CB 4.43Å; I296-L442 HydrophobicContact CD1-CD1 3.79Å; I296-L442 HydrophobicContact CG1-CD1 4.18Å
297	I	83.4	Confident	82.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-36.9	176.8	-68.8	166.3	0	0	0	111.6	F273 I293 N294 K299 L300 K330 L333 K334 V337	F273-I297 HydrophobicContact CE2-CG1 4.19Å; I293-I297 HydrophobicContact CG2-CD1 3.73Å; I293-I297 HydrophobicContact CG2-CG1 4.38Å; I293-I297 WeakPolarHBondContact O-CG1 3.4Å; I293-I297 PolarHBondContact O-N 3.33Å; N294-I297 PolarHBondContact O-N 2.96Å; I297-K299 PolarHBondContact O-N 2.63Å; I297-K299 VanDerWaalsContact O-N 3.11Å; I297-L300 PolarHBondContact O-N 3.1Å; I297-K330 HydrophobicContact CG2-CB 4.33Å; I297-K330 HydrophobicContact CG2-CG 4.25Å; I297-K330 WeakPolarHBondContact O-CE 3.42Å; I297-L333 HydrophobicContact CD1-CB 4.21Å; I297-L333 HydrophobicContact CG2-CB 4.21Å; I297-L333 HydrophobicContact CG2-CD1 4.18Å; I297-K334 HydrophobicContact CG2-CG 4.02Å; I297-V337 HydrophobicContact CD1-CG2 3.88Å
298	D	80.6	Confident	82.8	Confident	68 Å²	68	48.3 Å²	48.3	36%	0.364	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.6	177.2	-79	-27.7	0	0	0	113	N294 I296 K330 K334	N294-D298 VanDerWaalsContact O-CG 3.31Å; N294-D298 PolarHBondContact O-N 2.78Å; I296-D298 PolarHBondContact O-N 2.97Å; D298-K330 PolarHBondContact O-NZ 3.43Å; D298-K334 WeakPolarHBondContact OD1-CD 3.47Å; D298-K334 IonicContact OD1-NZ 3.21Å; D298-K334 PolarHBondContact OD1-NZ 2.84Å; D298-K334 IonicContact OD2-NZ 3.12Å; D298-K334 PolarHBondContact OD2-NZ 2.81Å
299	K	70.6	Confident	83.1	Confident	78 Å²	78	46 Å²	46	34%	0.339	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-29.5	-177.3	-55.3	-68.8	156.6	169.3	0	113.7	Q295 I296 I297 Q443 N445	Q295-K299 WeakPolarHBondContact O-CG 3.29Å; I296-K299 WeakPolarHBondContact O-CB 3.43Å; I296-K299 PolarHBondContact O-N 2.9Å; I297-K299 PolarHBondContact O-N 2.63Å; I297-K299 VanDerWaalsContact O-N 3.11Å; K299-Q443 HydrophobicContact CD-CB 4.2Å; K299-Q443 HydrophobicContact CD-CG 3.83Å; K299-Q443 VanDerWaalsContact CE-OE1 3.29Å; K299-Q443 HydrophobicContact CG-CG 4.04Å; K299-Q443 VanDerWaalsContact NZ-CD 3.32Å; K299-N445 PolarHBondContact O-ND2 3.02Å
300	L	72.3	Confident	83.4	Confident	37 Å²	37	46 Å²	46	19%	0.194	22%	0.219	C	C	.	.	S	Bend	trans	-67.6	146.5	179	-62.4	177	0	0	0	111.4	I296 I297 V302 A307 V309 K330	I296-L300 PolarHBondContact O-N 3.13Å; I297-L300 PolarHBondContact O-N 3.1Å; L300-V302 HydrophobicContact CB-CG2 4.02Å; L300-V302 PolarHBondContact O-N 2.91Å; L300-A307 HydrophobicContact CB-CB 4.13Å; L300-V309 HydrophobicContact CD1-CG2 3.69Å; L300-K330 WeakPolarHBondContact O-CE 3.42Å; L300-K330 PolarHBondContact O-NZ 2.87Å
301	E	74.9	Confident	83.6	Confident	135 Å²	135	45.2 Å²	45.2	63%	0.631	22%	0.216	S	C	*	.			trans	-87.5	78.6	169.8	-164.7	-179.3	159.7	0	0	109.8	S303 N306 A307	E301-S303 PolarHBondContact O-N 2.91Å; E301-N306 HydrophobicContact CB-CB 4.21Å; E301-N306 HydrophobicContact CG-CB 4.3Å; E301-N306 WeakPolarHBondContact O-CB 3.49Å; E301-N306 PolarHBondContact OE1-ND2 3.05Å; E301-A307 WeakPolarHBondContact O-CB 3.31Å; E301-A307 PolarHBondContact O-N 3.1Å
302	V	81.3	Confident	84	Confident	17 Å²	17	39.3 Å²	39.3	10%	0.103	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-71.2	115.7	-177.1	-175.4	0	0	0	0	110.3	L300 A307 V309 K330 L333	L300-V302 HydrophobicContact CB-CG2 4.02Å; L300-V302 PolarHBondContact O-N 2.91Å; V302-A307 WeakPolarHBondContact CA-O 3.21Å; V302-V309 HydrophobicContact CG2-CG2 4.15Å; V302-K330 HydrophobicContact CB-CG 4.02Å; V302-K330 HydrophobicContact CG2-CG 3.9Å; V302-L333 HydrophobicContact CB-CD1 4.28Å; V302-L333 HydrophobicContact CG1-CD1 3.6Å; V302-L333 HydrophobicContact CG2-CD1 3.79Å
303	S	81.4	Confident	84.7	Confident	32 Å²	32	39.2 Å²	39.2	22%	0.224	19%	0.19	C	C	.	.	S	Bend	trans	-162.7	170.2	174.7	78.9	0	0	0	0	109.2	E301 K305 N306 A307 H308	E301-S303 PolarHBondContact O-N 2.91Å; S303-K305 PolarHBondContact O-N 2.7Å; S303-K305 PolarHBondContact OG-N 2.88Å; S303-N306 PolarHBondContact O-N 2.76Å; S303-N306 WeakPolarHBondContact OG-CB 3.36Å; S303-N306 PolarHBondContact OG-N 3.25Å; S303-N306 PolarHBondContact OG-ND2 3.45Å; S303-A307 PolarHBondContact N-O 3.34Å; S303-H308 PolarHBondContact O-CD2 3.43Å
304	E	81.9	Confident	85.1	Confident	133 Å²	133	39.2 Å²	39.2	62%	0.621	19%	0.19	S	C	*	.	S	Bend	trans	-61.4	-25.4	175.8	-63.2	-178.4	176.8	0	0	113.5	H308 N328 R368	E304-H308 PolarHBondContact O-NE2 3.11Å; E304-H308 VanDerWaalsContact O-NE2 3.15Å; E304-N328 HydrophobicContact CG-CB 3.88Å; E304-N328 PolarHBondContact OE1-ND2 3.45Å; E304-N328 VanDerWaalsContact OE1-ND2 3.12Å; E304-R368 PolarHBondContact O-NH1 2.9Å
305	K	74.2	Confident	85.5	Confident	168 Å²	168	38.4 Å²	38.4	73%	0.73	19%	0.186	S	C	*	.	S	Bend	trans	-98.3	-26.3	-176.3	-64.9	-174.6	-179.6	-179.3	0	112.9	A268 S303 R368	A268-K305 WeakPolarHBondContact CB-O 3.5Å; S303-K305 PolarHBondContact O-N 2.7Å; S303-K305 PolarHBondContact OG-N 2.88Å; K305-R368 VanDerWaalsContact C-NH1 3.34Å; K305-R368 PolarHBondContact O-NH1 2.99Å; K305-R368 VanDerWaalsContact O-NH1 3.12Å
306	N	79.2	Confident	86.1	Confident	32 Å²	32	37.5 Å²	37.5	17%	0.171	19%	0.186	C	C	.	.	S	Bend	trans	-106.2	-99.6	-170.5	-62.3	-26.2	0	0	0	110.7	A268 I269 E301 S303 R368	A268-N306 VanDerWaalsContact CA-O 3.25Å; A268-N306 WeakPolarHBondContact CA-O 3.47Å; I269-N306 PolarHBondContact N-O 3.06Å; I269-N306 VanDerWaalsContact N-O 3.07Å; E301-N306 HydrophobicContact CB-CB 4.21Å; E301-N306 HydrophobicContact CG-CB 4.3Å; E301-N306 WeakPolarHBondContact O-CB 3.49Å; E301-N306 PolarHBondContact OE1-ND2 3.05Å; S303-N306 PolarHBondContact O-N 2.76Å; S303-N306 WeakPolarHBondContact OG-CB 3.36Å; S303-N306 PolarHBondContact OG-N 3.25Å; S303-N306 PolarHBondContact OG-ND2 3.45Å; N306-R368 PolarHBondContact O-NH1 2.81Å; N306-R368 VanDerWaalsContact O-NH1 3.11Å; N306-R368 PolarHBondContact O-NH2 3.06Å
307	A	83.1	Confident	86.9	Confident	3 Å²	3	40.9 Å²	40.9	3%	0.025	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.3	-178.3	0	0	0	0	0	113.1	I269 L300 E301 V302 S303	I269-A307 HydrophobicContact CG2-CB 3.62Å; I269-A307 CarbonylContact O-C 3.41Å; I269-A307 VanDerWaalsContact O-CA 3.32Å; I269-A307 WeakPolarHBondContact O-CA 3.45Å; L300-A307 HydrophobicContact CB-CB 4.13Å; E301-A307 WeakPolarHBondContact O-CB 3.31Å; E301-A307 PolarHBondContact O-N 3.1Å; V302-A307 WeakPolarHBondContact CA-O 3.21Å; S303-A307 PolarHBondContact N-O 3.34Å
308	H	91.4	Very high	87.6	Confident	23 Å²	23	42.5 Å²	42.5	11%	0.106	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137.6	162.3	-71.7	-169.2	0	0	0	109.2	I269 D270 A271 S303 E304 L324 G366 R368	I269-H308 PolarHBondContact O-N 3.21Å; D270-H308 WeakPolarHBondContact OD1-CB 3.42Å; D270-H308 IonicContact OD1-CG 2.79Å; D270-H308 IonicContact OD1-ND1 2.84Å; A271-H308 PolarHBondContact N-O 2.97Å; S303-H308 PolarHBondContact O-CD2 3.43Å; E304-H308 PolarHBondContact O-NE2 3.11Å; E304-H308 VanDerWaalsContact O-NE2 3.15Å; H308-L324 HydrophobicContact CB-CB 4.16Å; H308-L324 HydrophobicContact CB-CD2 4.05Å; H308-L324 WeakPolarHBondContact O-CD2 3.42Å; H308-G366 PolarHBondContact ND1-O 3.03Å; H308-R368 VanDerWaalsContact CE1-CD 3.5Å; H308-R368 WeakPolarHBondContact CE1-CD 3.43Å; H308-R368 PolarHBondContact ND1-NE 3.01Å
309	V	94.2	Very high	88.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.1	-174.7	-176.5	0	0	0	0	110.5	A271 F273 L300 V302 F322 L333	A271-V309 CarbonylContact O-C 3.57Å; A271-V309 VanDerWaalsContact O-CA 3.27Å; A271-V309 WeakPolarHBondContact O-CA 3.42Å; F273-V309 HydrophobicContact CD2-CG1 3.95Å; F273-V309 HydrophobicContact CE2-CG1 3.72Å; L300-V309 HydrophobicContact CD1-CG2 3.69Å; V302-V309 HydrophobicContact CG2-CG2 4.15Å; V309-F322 HydrophobicContact CG1-CE2 4.48Å; V309-L333 HydrophobicContact CB-CD1 3.78Å; V309-L333 HydrophobicContact CB-CD2 3.96Å; V309-L333 HydrophobicContact CG1-CD1 4.38Å; V309-L333 HydrophobicContact CG1-CD2 4.23Å; V309-L333 HydrophobicContact CG2-CD1 3.96Å
310	G	97.1	Very high	89.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	161.3	172.7	0	0	0	0	0	111.4	A271 V272 F273 F322	A271-G310 PolarHBondContact O-N 3.27Å; V272-G310 WeakPolarHBondContact CA-O 3.14Å; F273-G310 PolarHBondContact N-O 3.38Å; G310-F322 WeakPolarHBondContact CA-O 3.37Å
311	L	98.4	Very high	90.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	127.8	175.6	-166.4	153.1	0	0	0	111	F273 I293 E321 F322 V337 M340	F273-L311 HydrophobicContact CB-CD1 4.28Å; F273-L311 HydrophobicContact CB-CG 4.03Å; F273-L311 WeakPolarHBondContact O-CA 3.37Å; I293-L311 HydrophobicContact CD1-CD1 4.02Å; I293-L311 HydrophobicContact CG2-CD1 4.19Å; L311-E321 HydrophobicContact CB-CB 4.4Å; L311-E321 HydrophobicContact CD2-CB 3.6Å; L311-E321 HydrophobicContact CD2-CG 3.46Å; L311-E321 VanDerWaalsContact CD2-CG 3.46Å; L311-E321 PolarHBondContact O-N 2.77Å; L311-F322 HydrophobicContact CB-CD1 4.15Å; L311-F322 HydrophobicContact CB-CD2 4.24Å; L311-F322 HydrophobicContact CB-CE1 3.6Å; L311-F322 HydrophobicContact CB-CE2 3.68Å; L311-F322 HydrophobicContact CB-CG 4.45Å; L311-F322 HydrophobicContact CB-CZ 3.33Å; L311-F322 HydrophobicContact CD1-CE1 4.08Å; L311-F322 HydrophobicContact CD1-CZ 3.94Å; L311-F322 HydrophobicContact CG-CE1 4.37Å; L311-F322 HydrophobicContact CG-CZ 4.28Å; L311-F322 PolarHBondContact N-O 3.16Å; L311-F322 PolarHBondContact O-N 3.48Å; L311-V337 HydrophobicContact CD1-CG2 3.99Å; L311-M340 HydrophobicContact CD1-CE 4.1Å; L311-M340 HydrophobicContact CD1-SD 3.52Å; L311-M340 VanDerWaalsContact CD1-SD 3.52Å; L311-M340 HydrophobicContact CD2-CE 3.45Å; L311-M340 VanDerWaalsContact CD2-CE 3.45Å; L311-M340 HydrophobicContact CD2-SD 3.66Å; L311-M340 HydrophobicContact CG-CE 4.42Å; L311-M340 HydrophobicContact CG-SD 4.28Å
312	V	98.5	Very high	92	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.9	172.8	-179.8	0	0	0	0	107.4	V272 F273 V274 I275 V318 K319 V360	V272-V312 HydrophobicContact CG1-CG2 3.96Å; F273-V312 PolarHBondContact O-N 3.26Å; V274-V312 CarbonylContact C-O 3.55Å; V274-V312 WeakPolarHBondContact CA-O 3.34Å; I275-V312 PolarHBondContact N-O 2.81Å; V312-V318 HydrophobicContact CG1-CG1 3.35Å; V312-K319 CarbonylContact C-O 3.55Å; V312-K319 WeakPolarHBondContact CA-O 3.41Å; V312-V360 HydrophobicContact CG2-CG1 4.39Å; V312-V360 HydrophobicContact CG2-CG2 3.68Å
313	Q	98.3	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.8	168.8	-166.3	-171.8	17.6	0	0	108.9	I275 K319 E321 M340 D341 M343	I275-Q313 CarbonylContact O-C 3.54Å; I275-Q313 WeakPolarHBondContact O-CA 3.18Å; Q313-K319 PolarHBondContact N-O 2.9Å; Q313-K319 PolarHBondContact O-N 3.42Å; Q313-E321 HydrophobicContact CB-CG 4.06Å; Q313-E321 PolarHBondContact OE1-OE1 3.41Å; Q313-M340 HydrophobicContact CG-CE 4.49Å; Q313-D341 PolarHBondContact NE2-O 3.39Å; Q313-D341 PolarHBondContact OE1-O 3.34Å; Q313-D341 VanDerWaalsContact OE1-O 3.06Å; Q313-M343 HydrophobicContact CB-SD 3.9Å; Q313-M343 VanDerWaalsContact CD-SD 3.51Å; Q313-M343 HydrophobicContact CG-CG 4.21Å; Q313-M343 HydrophobicContact CG-SD 3.55Å; Q313-M343 VanDerWaalsContact CG-SD 3.55Å; Q313-M343 PolarHBondContact OE1-SD 3.44Å
314	Y	97.8	Very high	93.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.1	176.4	73.3	-84.7	0	0	0	113.3	V274 I275 D276 G277 T317 T347 T349 A352 F378 T379	V274-Y314 HydrophobicContact CG1-CD1 3.92Å; V274-Y314 HydrophobicContact CG1-CE1 4.04Å; I275-Y314 VanDerWaalsContact C-CD1 3.47Å; I275-Y314 VanDerWaalsContact C-CE1 3.47Å; I275-Y314 VanDerWaalsContact O-CD1 3.29Å; I275-Y314 WeakPolarHBondContact O-CD1 3.37Å; I275-Y314 PolarHBondContact O-N 2.95Å; D276-Y314 HydrophobicContact CB-CE1 3.98Å; D276-Y314 HydrophobicContact CB-CE2 4.26Å; D276-Y314 VanDerWaalsContact N-CE1 3.3Å; G277-Y314 PolarHBondContact N-O 3.28Å; Y314-T317 CarbonylContact C-O 3.55Å; Y314-T317 WeakPolarHBondContact CA-O 3.46Å; Y314-T347 HydrophobicContact CE2-CG2 3.94Å; Y314-T349 HydrophobicContact CE2-CG2 4.35Å; Y314-T349 WeakPolarHBondContact CE2-OG1 3.44Å; Y314-T349 PolarHBondContact OH-OG1 3.12Å; Y314-A352 HydrophobicContact CD1-CB 3.62Å; Y314-A352 HydrophobicContact CD2-CB 3.95Å; Y314-A352 HydrophobicContact CE1-CB 4.25Å; Y314-A352 HydrophobicContact CG-CB 3.44Å; Y314-A352 VanDerWaalsContact CG-CB 3.44Å; Y314-F378 PolarHBondContact OH-O 2.61Å; Y314-T379 WeakPolarHBondContact OH-CB 3.45Å
315	S	96.2	Very high	93.6	Very high	1 Å²	1	30 Å²	30	1%	0.007	17%	0.169	C	C	.	.	S	Bend	trans	-148.4	-114.1	165.9	72.7	0	0	0	0	109.7	T317 M343 E344 G346 M348	S315-T317 PolarHBondContact N-O 3.41Å; S315-M343 WeakPolarHBondContact OG-CB 3.42Å; S315-E344 WeakPolarHBondContact CB-O 3.49Å; S315-E344 PolarHBondContact OG-O 3.21Å; S315-G346 CarbonylContact C-O 3.58Å; S315-G346 WeakPolarHBondContact CA-O 3.36Å; S315-G346 VanDerWaalsContact CB-O 3.23Å; S315-G346 WeakPolarHBondContact CB-O 3.24Å; S315-M348 VanDerWaalsContact O-CB 3.23Å; S315-M348 WeakPolarHBondContact O-CB 3.42Å; S315-M348 WeakPolarHBondContact O-CG 3.49Å; S315-M348 PolarHBondContact O-N 3.41Å
316	S	94.6	Very high	94.6	Very high	45 Å²	45	26.7 Å²	26.7	32%	0.315	16%	0.156	S	C	.	.	S	Bend	trans	-72.5	-17.8	164.9	-67.3	0	0	0	0	112.9	R345 G346	S316-R345 VanDerWaalsContact OG-CB 3.28Å; S316-R345 WeakPolarHBondContact OG-CB 3.5Å; S316-G346 PolarHBondContact N-O 3.3Å; S316-G346 PolarHBondContact OG-N 3.08Å
317	T	95.4	Very high	95.4	Very high	86 Å²	86	28.1 Å²	28.1	53%	0.528	16%	0.159	S	C	.	.	S	Bend	trans	-130.2	167.8	173.9	58.2	0	0	0	0	109.2	Y314 S315 M343	Y314-T317 CarbonylContact C-O 3.55Å; Y314-T317 WeakPolarHBondContact CA-O 3.46Å; S315-T317 PolarHBondContact N-O 3.41Å; T317-M343 VanDerWaalsContact O-CE 3.29Å; T317-M343 WeakPolarHBondContact O-CE 3.35Å; T317-M343 VanDerWaalsContact OG1-CE 3.24Å; T317-M343 WeakPolarHBondContact OG1-CE 3.34Å
318	V	97.7	Very high	95.6	Very high	34 Å²	34	31.5 Å²	31.5	21%	0.206	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.9	177.9	-174.1	0	0	0	0	108.9	V312 L351 A352 H355	V312-V318 HydrophobicContact CG1-CG1 3.35Å; V318-L351 HydrophobicContact CG2-CB 4.21Å; V318-L351 HydrophobicContact CG2-CD2 3.92Å; V318-L351 HydrophobicContact CG2-CG 3.69Å; V318-A352 HydrophobicContact CG2-CB 4.09Å; V318-H355 HydrophobicContact CB-CB 4.43Å; V318-H355 HydrophobicContact CG1-CB 3.97Å; V318-H355 VanDerWaalsContact CG1-ND1 3.33Å; V318-H355 WeakPolarHBondContact CG1-ND1 3.49Å
319	K	97.4	Very high	95.6	Very high	85 Å²	85	33.6 Å²	33.6	37%	0.37	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.8	178.7	-179.7	177.7	167.8	-141.9	0	109.7	V312 Q313 E321 M343	V312-K319 CarbonylContact C-O 3.55Å; V312-K319 WeakPolarHBondContact CA-O 3.41Å; Q313-K319 PolarHBondContact N-O 2.9Å; Q313-K319 PolarHBondContact O-N 3.42Å; K319-E321 WeakPolarHBondContact CD-OE1 3.43Å; K319-E321 WeakPolarHBondContact CE-OE1 3.35Å; K319-E321 IonicContact NZ-OE1 2.7Å; K319-E321 PolarHBondContact NZ-OE1 3.33Å; K319-E321 IonicContact NZ-OE2 3.87Å; K319-E321 PolarHBondContact NZ-OE2 2.93Å; K319-E321 PolarHBondContact O-N 2.89Å; K319-M343 HydrophobicContact CB-CE 4.38Å; K319-M343 HydrophobicContact CB-SD 4.43Å
320	T	97.8	Very high	95.4	Very high	43 Å²	43	36.9 Å²	36.9	26%	0.264	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	109.8	163.6	-60.7	0	0	0	0	107.9	P323 H355	T320-P323 HydrophobicContact CG2-CB 4.42Å; T320-H355 PolarHBondContact OG1-CE1 3.37Å
321	E	97.9	Very high	95.3	Very high	37 Å²	37	44.8 Å²	44.8	17%	0.173	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-39.8	175.2	-68.9	-62.6	151.6	0	0	110.8	L311 Q313 K319 M340	L311-E321 HydrophobicContact CB-CB 4.4Å; L311-E321 HydrophobicContact CD2-CB 3.6Å; L311-E321 HydrophobicContact CD2-CG 3.46Å; L311-E321 VanDerWaalsContact CD2-CG 3.46Å; L311-E321 PolarHBondContact O-N 2.77Å; Q313-E321 HydrophobicContact CB-CG 4.06Å; Q313-E321 PolarHBondContact OE1-OE1 3.41Å; K319-E321 WeakPolarHBondContact CD-OE1 3.43Å; K319-E321 WeakPolarHBondContact CE-OE1 3.35Å; K319-E321 IonicContact NZ-OE1 2.7Å; K319-E321 PolarHBondContact NZ-OE1 3.33Å; K319-E321 IonicContact NZ-OE2 3.87Å; K319-E321 PolarHBondContact NZ-OE2 2.93Å; K319-E321 PolarHBondContact O-N 2.89Å; E321-M340 HydrophobicContact CB-CG 4.49Å; E321-M340 HydrophobicContact CG-CE 4.4Å; E321-M340 HydrophobicContact CG-CG 4Å
322	F	97.7	Very high	95.2	Very high	3 Å²	3	46 Å²	46	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	143	167.9	49.9	-92.8	0	0	0	110.9	V309 G310 L311 Q326 Y327 L333 A336 V337	V309-F322 HydrophobicContact CG1-CE2 4.48Å; G310-F322 WeakPolarHBondContact CA-O 3.37Å; L311-F322 HydrophobicContact CB-CD1 4.15Å; L311-F322 HydrophobicContact CB-CD2 4.24Å; L311-F322 HydrophobicContact CB-CE1 3.6Å; L311-F322 HydrophobicContact CB-CE2 3.68Å; L311-F322 HydrophobicContact CB-CG 4.45Å; L311-F322 HydrophobicContact CB-CZ 3.33Å; L311-F322 HydrophobicContact CD1-CE1 4.08Å; L311-F322 HydrophobicContact CD1-CZ 3.94Å; L311-F322 HydrophobicContact CG-CE1 4.37Å; L311-F322 HydrophobicContact CG-CZ 4.28Å; L311-F322 PolarHBondContact N-O 3.16Å; L311-F322 PolarHBondContact O-N 3.48Å; F322-Q326 HydrophobicContact CB-CB 4.42Å; F322-Y327 HydrophobicContact CB-CD2 4.09Å; F322-Y327 HydrophobicContact CB-CE2 3.65Å; F322-Y327 HydrophobicContact CD1-CE2 4.04Å; F322-Y327 AromaticContact CD2-CD2 3.96Å; F322-Y327 HydrophobicContact CD2-CD2 3.96Å; F322-Y327 HydrophobicContact CD2-CE2 4.22Å; F322-Y327 AromaticContact CG-CD2 3.94Å; F322-Y327 HydrophobicContact CG-CD2 3.94Å; F322-Y327 AromaticContact CG-CE2 3.71Å; F322-Y327 HydrophobicContact CG-CE2 3.71Å; F322-L333 HydrophobicContact CD2-CD2 4Å; F322-L333 HydrophobicContact CE2-CD2 3.37Å; F322-L333 HydrophobicContact CZ-CD2 3.88Å; F322-A336 HydrophobicContact CD1-CB 3.72Å; F322-A336 HydrophobicContact CE1-CB 3.72Å; F322-V337 HydrophobicContact CE1-CG2 4.25Å; F322-V337 HydrophobicContact CZ-CG2 4.15Å
323	P	97.2	Very high	95	Very high	24 Å²	24	46 Å²	46	16%	0.156	25%	0.247	C	C	.	.			trans	-81.1	166.5	175.7	36	-34	0	0	0	112.4	T320 G325 Q326 Q365	T320-P323 HydrophobicContact CG2-CB 4.42Å; P323-G325 VanDerWaalsContact C-N 3.28Å; P323-G325 PolarHBondContact O-N 3.22Å; P323-Q326 HydrophobicContact CG-CB 3.99Å; P323-Q326 PolarHBondContact O-N 2.89Å; P323-Q326 VanDerWaalsContact O-N 3.16Å; P323-Q365 HydrophobicContact CB-CB 3.9Å; P323-Q365 HydrophobicContact CB-CG 4.37Å; P323-Q365 WeakPolarHBondContact CB-O 3.4Å
324	L	93.5	Very high	94.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-40.4	-175.4	-76.6	159.9	0	0	0	113.7	D270 A271 V272 H308 F361 Q365 A367	D270-L324 HydrophobicContact CB-CD1 4.09Å; D270-L324 HydrophobicContact CB-CD2 3.94Å; A271-L324 WeakPolarHBondContact O-CD2 3.45Å; V272-L324 HydrophobicContact CG2-CD1 4.04Å; V272-L324 HydrophobicContact CG2-CD2 3.84Å; V272-L324 HydrophobicContact CG2-CG 3.9Å; H308-L324 HydrophobicContact CB-CB 4.16Å; H308-L324 HydrophobicContact CB-CD2 4.05Å; H308-L324 WeakPolarHBondContact O-CD2 3.42Å; L324-F361 HydrophobicContact CD1-CD1 3.93Å; L324-F361 HydrophobicContact CD1-CE1 4.1Å; L324-Q365 WeakPolarHBondContact CB-O 3.14Å; L324-Q365 PolarHBondContact N-O 3.47Å; L324-Q365 VanDerWaalsContact N-O 3.08Å; L324-A367 HydrophobicContact CD1-CB 3.79Å
325	G	88.6	Confident	94.8	Very high	47 Å²	47	52.1 Å²	52.1	49%	0.485	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.8	-175.7	0	0	0	0	0	115.7	P323 Q365	P323-G325 VanDerWaalsContact C-N 3.28Å; P323-G325 PolarHBondContact O-N 3.22Å; G325-Q365 PolarHBondContact N-O 2.96Å
326	Q	94.7	Very high	94.9	Very high	98 Å²	98	52.7 Å²	52.7	46%	0.458	28%	0.28	S	S	.	.	S	Bend	trans	-74.2	-35.1	-172.2	179.7	171.4	-15.2	0	0	113.2	F322 P323	F322-Q326 HydrophobicContact CB-CB 4.42Å; P323-Q326 HydrophobicContact CG-CB 3.99Å; P323-Q326 PolarHBondContact O-N 2.89Å; P323-Q326 VanDerWaalsContact O-N 3.16Å
327	Y	95.1	Very high	95	Very high	61 Å²	61	50.5 Å²	50.5	24%	0.239	27%	0.265	C	S	.	.			trans	-129.7	125	-175.1	-58.3	-64.1	0	0	0	111.2	F322 A332 L333 A336	F322-Y327 HydrophobicContact CB-CD2 4.09Å; F322-Y327 HydrophobicContact CB-CE2 3.65Å; F322-Y327 HydrophobicContact CD1-CE2 4.04Å; F322-Y327 AromaticContact CD2-CD2 3.96Å; F322-Y327 HydrophobicContact CD2-CD2 3.96Å; F322-Y327 HydrophobicContact CD2-CE2 4.22Å; F322-Y327 AromaticContact CG-CD2 3.94Å; F322-Y327 HydrophobicContact CG-CD2 3.94Å; F322-Y327 AromaticContact CG-CE2 3.71Å; F322-Y327 HydrophobicContact CG-CE2 3.71Å; Y327-A332 HydrophobicContact CD1-CB 3.52Å; Y327-A332 HydrophobicContact CE1-CB 4.08Å; Y327-A332 HydrophobicContact CG-CB 4.1Å; Y327-L333 HydrophobicContact CD2-CD2 3.87Å; Y327-L333 HydrophobicContact CG-CD2 4.24Å; Y327-A336 HydrophobicContact CD2-CB 4.36Å; Y327-A336 HydrophobicContact CE2-CB 3.55Å
328	N	89	Confident	95	Very high	74 Å²	74	51.9 Å²	51.9	40%	0.396	26%	0.263	S	S	.	.			trans	-104.8	10.8	179.4	65.3	-0.2	0	0	0	113.4	E304	E304-N328 HydrophobicContact CG-CB 3.88Å; E304-N328 PolarHBondContact OE1-ND2 3.45Å; E304-N328 VanDerWaalsContact OE1-ND2 3.12Å
329	N	91.3	Very high	95	Very high	67 Å²	67	57.7 Å²	57.7	36%	0.358	29%	0.286	S	S	.	.	S	Bend	trans	-143.9	146.1	179.9	68.5	87	0	0	0	112.4	K331 A332 L333	N329-K331 VanDerWaalsContact C-N 3.3Å; N329-K331 PolarHBondContact O-N 3.44Å; N329-K331 PolarHBondContact OD1-N 2.92Å; N329-A332 PolarHBondContact O-N 2.88Å; N329-A332 WeakPolarHBondContact OD1-CB 3.33Å; N329-A332 PolarHBondContact OD1-N 2.78Å; N329-L333 PolarHBondContact O-N 2.87Å
330	K	89.4	Confident	94.9	Very high	70 Å²	70	53.8 Å²	53.8	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-57.2	-40.1	-177.8	-67.3	-177.1	178.5	-178.8	0	113.3	I297 D298 L300 V302 A332 L333 K334	I297-K330 HydrophobicContact CG2-CB 4.33Å; I297-K330 HydrophobicContact CG2-CG 4.25Å; I297-K330 WeakPolarHBondContact O-CE 3.42Å; D298-K330 PolarHBondContact O-NZ 3.43Å; L300-K330 WeakPolarHBondContact O-CE 3.42Å; L300-K330 PolarHBondContact O-NZ 2.87Å; V302-K330 HydrophobicContact CB-CG 4.02Å; V302-K330 HydrophobicContact CG2-CG 3.9Å; K330-A332 PolarHBondContact O-N 3.42Å; K330-L333 PolarHBondContact O-N 3.04Å; K330-K334 VanDerWaalsContact O-CG 3.25Å; K330-K334 WeakPolarHBondContact O-CG 2.94Å; K330-K334 PolarHBondContact O-N 3.09Å
331	K	95.1	Very high	94.8	Very high	165 Å²	165	57.2 Å²	57.2	72%	0.717	29%	0.286	S	S	*	.	H	α-helix	trans	-60.7	-49.1	-176.3	-176.5	179.2	177	-177.5	0	110.5	N329 K334 E335	N329-K331 VanDerWaalsContact C-N 3.3Å; N329-K331 PolarHBondContact O-N 3.44Å; N329-K331 PolarHBondContact OD1-N 2.92Å; K331-K334 PolarHBondContact O-N 2.8Å; K331-E335 WeakPolarHBondContact O-CG 3.36Å; K331-E335 PolarHBondContact O-N 2.95Å; K331-E335 VanDerWaalsContact O-N 3.08Å
332	A	95.9	Very high	94.7	Very high	25 Å²	25	57.8 Å²	57.8	21%	0.207	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-43	179.2	0	0	0	0	0	112.4	Y327 N329 K330 K334 E335 A336	Y327-A332 HydrophobicContact CD1-CB 3.52Å; Y327-A332 HydrophobicContact CE1-CB 4.08Å; Y327-A332 HydrophobicContact CG-CB 4.1Å; N329-A332 PolarHBondContact O-N 2.88Å; N329-A332 WeakPolarHBondContact OD1-CB 3.33Å; N329-A332 PolarHBondContact OD1-N 2.78Å; K330-A332 PolarHBondContact O-N 3.42Å; A332-K334 PolarHBondContact O-N 2.66Å; A332-E335 PolarHBondContact O-N 3.46Å; A332-A336 PolarHBondContact O-N 3.48Å
333	L	95	Very high	94.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-49.3	175	-75.8	170	0	0	0	112.1	I297 V302 V309 F322 Y327 N329 K330 E335 A336 V337	I297-L333 HydrophobicContact CD1-CB 4.21Å; I297-L333 HydrophobicContact CG2-CB 4.21Å; I297-L333 HydrophobicContact CG2-CD1 4.18Å; V302-L333 HydrophobicContact CB-CD1 4.28Å; V302-L333 HydrophobicContact CG1-CD1 3.6Å; V302-L333 HydrophobicContact CG2-CD1 3.79Å; V309-L333 HydrophobicContact CB-CD1 3.78Å; V309-L333 HydrophobicContact CB-CD2 3.96Å; V309-L333 HydrophobicContact CG1-CD1 4.38Å; V309-L333 HydrophobicContact CG1-CD2 4.23Å; V309-L333 HydrophobicContact CG2-CD1 3.96Å; F322-L333 HydrophobicContact CD2-CD2 4Å; F322-L333 HydrophobicContact CE2-CD2 3.37Å; F322-L333 HydrophobicContact CZ-CD2 3.88Å; Y327-L333 HydrophobicContact CD2-CD2 3.87Å; Y327-L333 HydrophobicContact CG-CD2 4.24Å; N329-L333 PolarHBondContact O-N 2.87Å; K330-L333 PolarHBondContact O-N 3.04Å; L333-E335 VanDerWaalsContact C-N 3.31Å; L333-E335 PolarHBondContact O-N 2.92Å; L333-A336 WeakPolarHBondContact O-CB 3.4Å; L333-A336 PolarHBondContact O-N 2.81Å; L333-A336 VanDerWaalsContact O-N 3.12Å; L333-V337 WeakPolarHBondContact O-CG2 3.31Å; L333-V337 PolarHBondContact O-N 3.1Å
334	K	95.2	Very high	94	Very high	53 Å²	53	63.4 Å²	63.4	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-36.3	-178.8	-65.9	177.6	72.3	164.1	0	112.2	N294 I297 D298 K330 K331 A332 V337 K338	N294-K334 WeakPolarHBondContact OD1-CA 3.29Å; N294-K334 WeakPolarHBondContact OD1-CB 3.15Å; N294-K334 WeakPolarHBondContact OD1-CG 3.24Å; I297-K334 HydrophobicContact CG2-CG 4.02Å; D298-K334 WeakPolarHBondContact OD1-CD 3.47Å; D298-K334 IonicContact OD1-NZ 3.21Å; D298-K334 PolarHBondContact OD1-NZ 2.84Å; D298-K334 IonicContact OD2-NZ 3.12Å; D298-K334 PolarHBondContact OD2-NZ 2.81Å; K330-K334 VanDerWaalsContact O-CG 3.25Å; K330-K334 WeakPolarHBondContact O-CG 2.94Å; K330-K334 PolarHBondContact O-N 3.09Å; K331-K334 PolarHBondContact O-N 2.8Å; A332-K334 PolarHBondContact O-N 2.66Å; K334-V337 PolarHBondContact O-N 2.97Å; K334-K338 VanDerWaalsContact O-CG 3.31Å; K334-K338 WeakPolarHBondContact O-CG 3.03Å; K334-K338 PolarHBondContact O-N 2.87Å
335	E	97	Very high	93.9	Very high	77 Å²	77	72.1 Å²	72.1	36%	0.36	34%	0.344	S	S	.	.	H	α-helix	trans	-68.2	-35.9	173.4	-68.7	-53	128.5	0	0	112.3	K331 A332 L333 K338 K339	K331-E335 WeakPolarHBondContact O-CG 3.36Å; K331-E335 PolarHBondContact O-N 2.95Å; K331-E335 VanDerWaalsContact O-N 3.08Å; A332-E335 PolarHBondContact O-N 3.46Å; L333-E335 VanDerWaalsContact C-N 3.31Å; L333-E335 PolarHBondContact O-N 2.92Å; E335-K338 PolarHBondContact O-N 3.03Å; E335-K338 IonicContact OE1-NZ 2.58Å; E335-K338 PolarHBondContact OE1-NZ 2.85Å; E335-K338 IonicContact OE2-NZ 2.75Å; E335-K339 WeakPolarHBondContact O-CG 3.15Å; E335-K339 PolarHBondContact O-N 3.27Å
336	A	97.3	Very high	94.1	Very high	12 Å²	12	70.3 Å²	70.3	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-44.4	173.1	0	0	0	0	0	111.6	F322 Y327 A332 L333 K338 K339 M340	F322-A336 HydrophobicContact CD1-CB 3.72Å; F322-A336 HydrophobicContact CE1-CB 3.72Å; Y327-A336 HydrophobicContact CD2-CB 4.36Å; Y327-A336 HydrophobicContact CE2-CB 3.55Å; A332-A336 PolarHBondContact O-N 3.48Å; L333-A336 WeakPolarHBondContact O-CB 3.4Å; L333-A336 PolarHBondContact O-N 2.81Å; L333-A336 VanDerWaalsContact O-N 3.12Å; A336-K338 VanDerWaalsContact C-N 3.33Å; A336-K338 PolarHBondContact O-N 3.28Å; A336-K339 PolarHBondContact O-N 3.14Å; A336-K339 VanDerWaalsContact O-N 3.14Å; A336-M340 PolarHBondContact O-N 3.47Å
337	V	96.8	Very high	93.9	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-41.1	176.3	172.8	0	0	0	0	111.9	K290 I293 I297 L311 F322 L333 K334 K339 M340	K290-V337 HydrophobicContact CB-CG1 4.04Å; K290-V337 HydrophobicContact CG-CG1 4.28Å; I293-V337 HydrophobicContact CB-CG1 4.24Å; I293-V337 HydrophobicContact CG2-CG1 4.17Å; I293-V337 HydrophobicContact CG2-CG2 3.82Å; I297-V337 HydrophobicContact CD1-CG2 3.88Å; L311-V337 HydrophobicContact CD1-CG2 3.99Å; F322-V337 HydrophobicContact CE1-CG2 4.25Å; F322-V337 HydrophobicContact CZ-CG2 4.15Å; L333-V337 WeakPolarHBondContact O-CG2 3.31Å; L333-V337 PolarHBondContact O-N 3.1Å; K334-V337 PolarHBondContact O-N 2.97Å; V337-K339 VanDerWaalsContact C-N 3.27Å; V337-K339 PolarHBondContact O-N 3.03Å; V337-M340 HydrophobicContact CB-SD 4.3Å; V337-M340 HydrophobicContact CG1-SD 4.08Å; V337-M340 HydrophobicContact CG2-SD 4.48Å; V337-M340 WeakPolarHBondContact O-CB 3.13Å; V337-M340 WeakPolarHBondContact O-CG 3.49Å; V337-M340 PolarHBondContact O-N 2.77Å
338	K	96.1	Very high	94	Very high	114 Å²	114	65.4 Å²	65.4	50%	0.496	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-37.3	176.9	-75.1	172.3	-174.5	175	0	112.6	K290 K334 E335 A336 M340	K290-K338 PolarHBondContact NZ-O 2.85Å; K334-K338 VanDerWaalsContact O-CG 3.31Å; K334-K338 WeakPolarHBondContact O-CG 3.03Å; K334-K338 PolarHBondContact O-N 2.87Å; E335-K338 PolarHBondContact O-N 3.03Å; E335-K338 IonicContact OE1-NZ 2.58Å; E335-K338 PolarHBondContact OE1-NZ 2.85Å; E335-K338 IonicContact OE2-NZ 2.75Å; A336-K338 VanDerWaalsContact C-N 3.33Å; A336-K338 PolarHBondContact O-N 3.28Å; K338-M340 VanDerWaalsContact C-N 3.27Å; K338-M340 PolarHBondContact O-N 2.74Å
339	K	96.6	Very high	94.3	Very high	156 Å²	156	62 Å²	62	68%	0.678	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.9	-177.8	-69.9	175	-176.4	-178.7	0	114.3	E335 A336 V337 D341	E335-K339 WeakPolarHBondContact O-CG 3.15Å; E335-K339 PolarHBondContact O-N 3.27Å; A336-K339 PolarHBondContact O-N 3.14Å; A336-K339 VanDerWaalsContact O-N 3.14Å; V337-K339 VanDerWaalsContact C-N 3.27Å; V337-K339 PolarHBondContact O-N 3.03Å; K339-D341 PolarHBondContact O-N 3.39Å
340	M	96.6	Very high	94.5	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.015	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-61.1	127.2	178	-66.9	168.1	55.2	0	0	110.5	F286 K290 L311 Q313 E321 A336 V337 K338	F286-M340 HydrophobicContact CE1-CB 4.45Å; F286-M340 HydrophobicContact CZ-CE 3.82Å; K290-M340 WeakPolarHBondContact CE-O 3.47Å; K290-M340 PolarHBondContact NZ-O 3.12Å; L311-M340 HydrophobicContact CD1-CE 4.1Å; L311-M340 HydrophobicContact CD1-SD 3.52Å; L311-M340 VanDerWaalsContact CD1-SD 3.52Å; L311-M340 HydrophobicContact CD2-CE 3.45Å; L311-M340 VanDerWaalsContact CD2-CE 3.45Å; L311-M340 HydrophobicContact CD2-SD 3.66Å; L311-M340 HydrophobicContact CG-CE 4.42Å; L311-M340 HydrophobicContact CG-SD 4.28Å; Q313-M340 HydrophobicContact CG-CE 4.49Å; E321-M340 HydrophobicContact CB-CG 4.49Å; E321-M340 HydrophobicContact CG-CE 4.4Å; E321-M340 HydrophobicContact CG-CG 4Å; A336-M340 PolarHBondContact O-N 3.47Å; V337-M340 HydrophobicContact CB-SD 4.3Å; V337-M340 HydrophobicContact CG1-SD 4.08Å; V337-M340 HydrophobicContact CG2-SD 4.48Å; V337-M340 WeakPolarHBondContact O-CB 3.13Å; V337-M340 WeakPolarHBondContact O-CG 3.49Å; V337-M340 PolarHBondContact O-N 2.77Å; K338-M340 VanDerWaalsContact C-N 3.27Å; K338-M340 PolarHBondContact O-N 2.74Å
341	D	95.6	Very high	94.8	Very high	116 Å²	116	59.4 Å²	59.4	62%	0.62	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-84.9	145	174.3	-64.8	-47.6	0	0	0	110.1	Q313 K339 M343	Q313-D341 PolarHBondContact NE2-O 3.39Å; Q313-D341 PolarHBondContact OE1-O 3.34Å; Q313-D341 VanDerWaalsContact OE1-O 3.06Å; K339-D341 PolarHBondContact O-N 3.39Å; D341-M343 PolarHBondContact O-N 3.38Å
342	Y	95.8	Very high	95	Very high	48 Å²	48	51.5 Å²	51.5	19%	0.188	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-76.6	124.6	175.4	178.6	-124.1	0	0	0	109.8	G277 S278 K279 V281 R282 P283 F286 E344	G277-Y342 VanDerWaalsContact O-CE2 3.3Å; G277-Y342 WeakPolarHBondContact O-CE2 3.15Å; S278-Y342 WeakPolarHBondContact O-CE2 3.38Å; S278-Y342 PolarHBondContact O-OH 3.14Å; K279-Y342 VanDerWaalsContact CA-OH 3.26Å; K279-Y342 WeakPolarHBondContact CA-OH 3.38Å; K279-Y342 PolarHBondContact O-OH 3.21Å; V281-Y342 HydrophobicContact CB-CE2 4.36Å; R282-Y342 VanDerWaalsContact CA-OH 3.31Å; R282-Y342 WeakPolarHBondContact CA-OH 3.31Å; R282-Y342 PolarHBondContact N-OH 2.88Å; P283-Y342 HydrophobicContact CG-CD1 3.98Å; P283-Y342 HydrophobicContact CG-CE1 3.77Å; F286-Y342 HydrophobicContact CB-CD2 3.98Å; F286-Y342 HydrophobicContact CB-CE2 4.31Å; F286-Y342 HydrophobicContact CD1-CD2 4Å; F286-Y342 HydrophobicContact CD1-CG 4.4Å; F286-Y342 HydrophobicContact CD2-CD2 4.02Å; F286-Y342 AromaticContact CG-CD2 3.73Å; F286-Y342 HydrophobicContact CG-CD2 3.73Å; F286-Y342 HydrophobicContact CG-CE2 4.39Å; Y342-E344 HydrophobicContact CD1-CG 3.47Å; Y342-E344 VanDerWaalsContact CD1-CG 3.47Å; Y342-E344 HydrophobicContact CE1-CB 4.37Å; Y342-E344 HydrophobicContact CE1-CG 3.37Å; Y342-E344 HydrophobicContact CG-CG 4.39Å
343	M	93.5	Very high	95.1	Very high	39 Å²	39	50.4 Å²	50.4	19%	0.192	23%	0.233	C	C	.	.			trans	-81.2	-29.6	-171.5	-69.2	176.3	72.2	0	0	114	Q313 S315 T317 K319 D341	Q313-M343 HydrophobicContact CB-SD 3.9Å; Q313-M343 VanDerWaalsContact CD-SD 3.51Å; Q313-M343 HydrophobicContact CG-CG 4.21Å; Q313-M343 HydrophobicContact CG-SD 3.55Å; Q313-M343 VanDerWaalsContact CG-SD 3.55Å; Q313-M343 PolarHBondContact OE1-SD 3.44Å; S315-M343 WeakPolarHBondContact OG-CB 3.42Å; T317-M343 VanDerWaalsContact O-CE 3.29Å; T317-M343 WeakPolarHBondContact O-CE 3.35Å; T317-M343 VanDerWaalsContact OG1-CE 3.24Å; T317-M343 WeakPolarHBondContact OG1-CE 3.34Å; K319-M343 HydrophobicContact CB-CE 4.38Å; K319-M343 HydrophobicContact CB-SD 4.43Å; D341-M343 PolarHBondContact O-N 3.38Å
344	E	86.4	Confident	95.1	Very high	107 Å²	107	53.5 Å²	53.5	50%	0.5	25%	0.247	S	C	.	.			trans	59.1	-167.8	-171	-55.5	-179	172.8	0	0	112.5	G277 S315 Y342	G277-E344 PolarHBondContact O-N 3.47Å; S315-E344 WeakPolarHBondContact CB-O 3.49Å; S315-E344 PolarHBondContact OG-O 3.21Å; Y342-E344 HydrophobicContact CD1-CG 3.47Å; Y342-E344 VanDerWaalsContact CD1-CG 3.47Å; Y342-E344 HydrophobicContact CE1-CB 4.37Å; Y342-E344 HydrophobicContact CE1-CG 3.37Å; Y342-E344 HydrophobicContact CG-CG 4.39Å
345	R	91.9	Very high	95.3	Very high	183 Å²	183	53.3 Å²	53.3	69%	0.691	25%	0.247	S	C	*	.	S	Bend	trans	74.3	-154.3	178.8	-46.1	-179.7	175	-107.9	-2.8	114.2	K279 S316	K279-R345 WeakPolarHBondContact CB-O 3.36Å; K279-R345 PolarHBondContact N-O 3.3Å; S316-R345 VanDerWaalsContact OG-CB 3.28Å; S316-R345 WeakPolarHBondContact OG-CB 3.5Å
346	G	91.6	Very high	95.2	Very high	8 Å²	8	49.7 Å²	49.7	8%	0.082	23%	0.23	C	C	.	.			trans	-78.4	-175.1	-171.3	0	0	0	0	0	113.7	S278 S315 S316	S278-G346 WeakPolarHBondContact CB-O 3.49Å; S315-G346 CarbonylContact C-O 3.58Å; S315-G346 WeakPolarHBondContact CA-O 3.36Å; S315-G346 VanDerWaalsContact CB-O 3.23Å; S315-G346 WeakPolarHBondContact CB-O 3.24Å; S316-G346 PolarHBondContact N-O 3.3Å; S316-G346 PolarHBondContact OG-N 3.08Å
347	T	92	Very high	95.1	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.025	23%	0.23	C	C	.	.			trans	-124.8	88.8	-173.8	-46.6	0	0	0	0	109.4	D276 S278 Y314 T349 S383 Q384	D276-T347 VanDerWaalsContact OD2-CG2 3.29Å; D276-T347 WeakPolarHBondContact OD2-CG2 3.09Å; S278-T347 WeakPolarHBondContact CB-OG1 3.02Å; S278-T347 PolarHBondContact OG-OG1 3.31Å; S278-T347 VanDerWaalsContact OG-OG1 3.04Å; Y314-T347 HydrophobicContact CE2-CG2 3.94Å; T347-T349 PolarHBondContact O-N 2.82Å; T347-S383 WeakPolarHBondContact O-CA 3.37Å; T347-S383 PolarHBondContact O-OG 3.24Å; T347-Q384 PolarHBondContact O-N 3.02Å
348	M	95.3	Very high	94.9	Very high	52 Å²	52	53.3 Å²	53.3	26%	0.256	25%	0.249	S	C	.	.			trans	-98.8	71.4	-179.6	-59.5	-63.1	-160.6	0	0	111	S315 G350 L351 A352 Q384 D385	S315-M348 VanDerWaalsContact O-CB 3.23Å; S315-M348 WeakPolarHBondContact O-CB 3.42Å; S315-M348 WeakPolarHBondContact O-CG 3.49Å; S315-M348 PolarHBondContact O-N 3.41Å; M348-G350 VanDerWaalsContact C-N 3.34Å; M348-G350 PolarHBondContact O-N 3.11Å; M348-L351 HydrophobicContact CB-CB 3.91Å; M348-L351 HydrophobicContact CB-CD2 4.33Å; M348-L351 PolarHBondContact O-N 3.45Å; M348-A352 PolarHBondContact O-N 3.19Å; M348-A352 VanDerWaalsContact O-N 3.16Å; M348-Q384 HydrophobicContact SD-CB 3.96Å; M348-D385 HydrophobicContact SD-CB 3.83Å
349	T	96.1	Very high	94.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-36.8	-177	-45.7	0	0	0	0	111.4	Y314 T347 L351 A352 L353 V377 S383 D385 I387 I417	Y314-T349 HydrophobicContact CE2-CG2 4.35Å; Y314-T349 WeakPolarHBondContact CE2-OG1 3.44Å; Y314-T349 PolarHBondContact OH-OG1 3.12Å; T347-T349 PolarHBondContact O-N 2.82Å; T349-L351 PolarHBondContact O-N 3.03Å; T349-A352 WeakPolarHBondContact O-CB 3.45Å; T349-A352 PolarHBondContact O-N 3.27Å; T349-L353 HydrophobicContact CG2-CD1 4.31Å; T349-L353 HydrophobicContact CG2-CG 4.46Å; T349-L353 VanDerWaalsContact O-CG 3.28Å; T349-L353 WeakPolarHBondContact O-CG 3.24Å; T349-L353 PolarHBondContact O-N 3.17Å; T349-V377 HydrophobicContact CG2-CG1 4.31Å; T349-S383 WeakPolarHBondContact CB-OG 3.44Å; T349-S383 PolarHBondContact N-OG 2.97Å; T349-S383 PolarHBondContact OG1-OG 2.96Å; T349-S383 VanDerWaalsContact OG1-OG 3.05Å; T349-D385 PolarHBondContact N-OD1 3.31Å; T349-I387 HydrophobicContact CG2-CG2 4.37Å; T349-I417 HydrophobicContact CG2-CD1 3.96Å
350	G	95.3	Very high	94.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-44.4	179	0	0	0	0	0	111.6	M348 A352 L353 H354 D385 A390	M348-G350 VanDerWaalsContact C-N 3.34Å; M348-G350 PolarHBondContact O-N 3.11Å; G350-A352 VanDerWaalsContact C-N 3.33Å; G350-A352 PolarHBondContact O-N 2.79Å; G350-L353 PolarHBondContact O-N 3.21Å; G350-H354 PolarHBondContact O-CD2 3.22Å; G350-H354 PolarHBondContact O-N 3.36Å; G350-D385 VanDerWaalsContact CA-OD2 3.29Å; G350-D385 WeakPolarHBondContact CA-OD2 3.44Å; G350-D385 PolarHBondContact N-OD1 2.67Å; G350-D385 PolarHBondContact N-OD2 3.06Å; G350-D385 VanDerWaalsContact N-OD2 3.13Å; G350-A390 WeakPolarHBondContact O-CB 3.34Å
351	L	96.9	Very high	94.6	Very high	82 Å²	82	45.2 Å²	45.2	43%	0.429	22%	0.218	S	C	.	.	H	α-helix	trans	-59.9	-42.2	174	-174.4	64.2	0	0	0	111.8	V318 M348 T349 H354 H355 D385	V318-L351 HydrophobicContact CG2-CB 4.21Å; V318-L351 HydrophobicContact CG2-CD2 3.92Å; V318-L351 HydrophobicContact CG2-CG 3.69Å; M348-L351 HydrophobicContact CB-CB 3.91Å; M348-L351 HydrophobicContact CB-CD2 4.33Å; M348-L351 PolarHBondContact O-N 3.45Å; T349-L351 PolarHBondContact O-N 3.03Å; L351-H354 PolarHBondContact O-N 3.23Å; L351-H355 WeakPolarHBondContact O-CB 3.29Å; L351-H355 PolarHBondContact O-N 3.14Å; L351-D385 PolarHBondContact N-OD2 3.09Å
352	A	97.6	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-41.2	177.5	0	0	0	0	0	112.5	V274 Y314 V318 M348 T349 G350 H355 T356	V274-A352 HydrophobicContact CG1-CB 3.89Å; Y314-A352 HydrophobicContact CD1-CB 3.62Å; Y314-A352 HydrophobicContact CD2-CB 3.95Å; Y314-A352 HydrophobicContact CE1-CB 4.25Å; Y314-A352 HydrophobicContact CG-CB 3.44Å; Y314-A352 VanDerWaalsContact CG-CB 3.44Å; V318-A352 HydrophobicContact CG2-CB 4.09Å; M348-A352 PolarHBondContact O-N 3.19Å; M348-A352 VanDerWaalsContact O-N 3.16Å; T349-A352 WeakPolarHBondContact O-CB 3.45Å; T349-A352 PolarHBondContact O-N 3.27Å; G350-A352 VanDerWaalsContact C-N 3.33Å; G350-A352 PolarHBondContact O-N 2.79Å; A352-H355 PolarHBondContact O-N 2.85Å; A352-T356 WeakPolarHBondContact O-CB 3.46Å; A352-T356 PolarHBondContact O-N 3.17Å; A352-T356 PolarHBondContact O-OG1 3.48Å
353	L	97.7	Very high	94	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-43.2	176.3	-68.6	171.9	0	0	0	111.7	T349 G350 T356 A357 V377 I387 A390 A391 M401 I417	T349-L353 HydrophobicContact CG2-CD1 4.31Å; T349-L353 HydrophobicContact CG2-CG 4.46Å; T349-L353 VanDerWaalsContact O-CG 3.28Å; T349-L353 WeakPolarHBondContact O-CG 3.24Å; T349-L353 PolarHBondContact O-N 3.17Å; G350-L353 PolarHBondContact O-N 3.21Å; L353-T356 PolarHBondContact O-N 3.04Å; L353-A357 WeakPolarHBondContact O-CB 3.32Å; L353-A357 PolarHBondContact O-N 3Å; L353-V377 HydrophobicContact CD2-CG2 3.82Å; L353-I387 HydrophobicContact CD1-CB 4.33Å; L353-A390 HydrophobicContact CB-CB 3.61Å; L353-A390 HydrophobicContact CD1-CB 4.35Å; L353-A391 HydrophobicContact CD1-CB 4.19Å; L353-M401 HydrophobicContact CD2-CE 3.62Å; L353-I417 HydrophobicContact CD1-CD1 4.33Å; L353-I417 HydrophobicContact CD1-CG1 3.98Å; L353-I417 HydrophobicContact CD2-CG2 4.36Å
354	H	96.9	Very high	93.9	Very high	66 Å²	66	48.4 Å²	48.4	31%	0.306	25%	0.25	S	S	.	.	H	α-helix	trans	-58.5	-51.9	174.1	-88.9	-58	0	0	0	111.6	G350 L351 T356 A357 D358 A390	G350-H354 PolarHBondContact O-CD2 3.22Å; G350-H354 PolarHBondContact O-N 3.36Å; L351-H354 PolarHBondContact O-N 3.23Å; H354-T356 VanDerWaalsContact C-N 3.29Å; H354-T356 PolarHBondContact O-N 3.04Å; H354-A357 PolarHBondContact O-N 3.21Å; H354-D358 VanDerWaalsContact O-CB 3.31Å; H354-D358 WeakPolarHBondContact O-CB 3.43Å; H354-D358 PolarHBondContact O-N 3.16Å; H354-A390 VanDerWaalsContact CD2-CB 3.45Å; H354-A390 WeakPolarHBondContact CD2-CB 3.49Å
355	H	97.5	Very high	94.3	Very high	48 Å²	48	46.3 Å²	46.3	22%	0.222	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-39.4	178.9	-179.5	-107.5	0	0	0	112.3	V318 T320 L351 A352 N359 V360	V318-H355 HydrophobicContact CB-CB 4.43Å; V318-H355 HydrophobicContact CG1-CB 3.97Å; V318-H355 VanDerWaalsContact CG1-ND1 3.33Å; V318-H355 WeakPolarHBondContact CG1-ND1 3.49Å; T320-H355 PolarHBondContact OG1-CE1 3.37Å; L351-H355 WeakPolarHBondContact O-CB 3.29Å; L351-H355 PolarHBondContact O-N 3.14Å; A352-H355 PolarHBondContact O-N 2.85Å; H355-N359 WeakPolarHBondContact O-CA 3.19Å; H355-N359 VanDerWaalsContact O-CB 3.29Å; H355-N359 WeakPolarHBondContact O-CB 3.38Å; H355-N359 PolarHBondContact O-N 2.81Å; H355-V360 PolarHBondContact O-N 3.5Å
356	T	96.6	Very high	94.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	22%	0.217	C	C	.	.	I	π-helix	trans	-62.4	-47.1	176.5	-59.5	0	0	0	0	111.4	V272 V274 A352 L353 H354 V360 F361 A375	V272-T356 HydrophobicContact CG1-CG2 4.32Å; V274-T356 HydrophobicContact CG2-CG2 3.94Å; V274-T356 WeakPolarHBondContact CG2-OG1 3.49Å; A352-T356 WeakPolarHBondContact O-CB 3.46Å; A352-T356 PolarHBondContact O-N 3.17Å; A352-T356 PolarHBondContact O-OG1 3.48Å; L353-T356 PolarHBondContact O-N 3.04Å; H354-T356 VanDerWaalsContact C-N 3.29Å; H354-T356 PolarHBondContact O-N 3.04Å; T356-V360 WeakPolarHBondContact O-CB 3.39Å; T356-V360 PolarHBondContact O-N 3.4Å; T356-F361 HydrophobicContact CG2-CD2 3.9Å; T356-F361 HydrophobicContact CG2-CE2 3.64Å; T356-F361 PolarHBondContact O-N 3.01Å; T356-A375 HydrophobicContact CG2-CB 4.5Å
357	A	94.1	Very high	94	Very high	10 Å²	10	38.4 Å²	38.4	8%	0.083	22%	0.215	C	C	.	.	I	π-helix	trans	-66.1	-40.9	179.1	0	0	0	0	0	112.9	L353 H354 A394 L397	L353-A357 WeakPolarHBondContact O-CB 3.32Å; L353-A357 PolarHBondContact O-N 3Å; H354-A357 PolarHBondContact O-N 3.21Å; A357-A394 HydrophobicContact CB-CB 4.27Å; A357-L397 HydrophobicContact CB-CD1 3.96Å
358	D	93.9	Very high	93.6	Very high	77 Å²	77	40 Å²	40	41%	0.412	22%	0.221	S	C	.	.	I	π-helix	trans	-88.4	-35.1	-171.7	-71.9	-36.3	0	0	0	113.5	H354 K393	H354-D358 VanDerWaalsContact O-CB 3.31Å; H354-D358 WeakPolarHBondContact O-CB 3.43Å; H354-D358 PolarHBondContact O-N 3.16Å; D358-K393 WeakPolarHBondContact OD1-CE 3.34Å; D358-K393 IonicContact OD1-NZ 3.94Å; D358-K393 PolarHBondContact OD1-NZ 3.16Å; D358-K393 IonicContact OD2-NZ 3.23Å; D358-K393 PolarHBondContact OD2-NZ 3.3Å
359	N	94.4	Very high	92.8	Very high	80 Å²	80	42.4 Å²	42.4	43%	0.428	24%	0.24	S	C	.	.	I	π-helix	trans	-119.3	-19.2	-165.7	-59.5	85.2	0	0	0	114.2	H355 N362 Q365	H355-N359 WeakPolarHBondContact O-CA 3.19Å; H355-N359 VanDerWaalsContact O-CB 3.29Å; H355-N359 WeakPolarHBondContact O-CB 3.38Å; H355-N359 PolarHBondContact O-N 2.81Å; N359-N362 PolarHBondContact O-ND2 2.89Å; N359-Q365 WeakPolarHBondContact O-CG 3.41Å
360	V	96	Very high	91.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.274	C	S	.	.	I	π-helix	trans	-102	-43.5	-171.6	-174.5	0	0	0	0	112.4	V272 V312 H355 T356 N362 Q365	V272-V360 HydrophobicContact CB-CG1 4.5Å; V272-V360 HydrophobicContact CG1-CG1 3.99Å; V272-V360 HydrophobicContact CG2-CG1 3.68Å; V312-V360 HydrophobicContact CG2-CG1 4.39Å; V312-V360 HydrophobicContact CG2-CG2 3.68Å; H355-V360 PolarHBondContact O-N 3.5Å; T356-V360 WeakPolarHBondContact O-CB 3.39Å; T356-V360 PolarHBondContact O-N 3.4Å; V360-N362 PolarHBondContact O-N 3.32Å; V360-Q365 VanDerWaalsContact O-CB 3.3Å; V360-Q365 WeakPolarHBondContact O-CB 3.28Å
361	F	92.5	Very high	90.7	Very high	23 Å²	23	46.8 Å²	46.8	10%	0.101	28%	0.28	C	S	.	.	S	Bend	trans	-85.2	51.1	179.8	-76.1	-76.1	0	0	0	113.4	D270 V272 L324 T356 K373 V374 A375 L399	D270-F361 HydrophobicContact CB-CE1 4.3Å; V272-F361 HydrophobicContact CB-CE2 3.91Å; V272-F361 HydrophobicContact CB-CZ 3.67Å; V272-F361 HydrophobicContact CG2-CD1 4.47Å; V272-F361 HydrophobicContact CG2-CD2 4.44Å; V272-F361 HydrophobicContact CG2-CE1 3.75Å; V272-F361 HydrophobicContact CG2-CE2 3.72Å; V272-F361 HydrophobicContact CG2-CZ 3.33Å; L324-F361 HydrophobicContact CD1-CD1 3.93Å; L324-F361 HydrophobicContact CD1-CE1 4.1Å; T356-F361 HydrophobicContact CG2-CD2 3.9Å; T356-F361 HydrophobicContact CG2-CE2 3.64Å; T356-F361 PolarHBondContact O-N 3.01Å; F361-K373 HydrophobicContact CB-CD 4.23Å; F361-K373 HydrophobicContact CD1-CB 3.77Å; F361-K373 HydrophobicContact CD1-CD 3.82Å; F361-K373 HydrophobicContact CD1-CG 3.66Å; F361-K373 HydrophobicContact CE1-CB 3.66Å; F361-K373 HydrophobicContact CE1-CG 3.96Å; F361-K373 HydrophobicContact CG-CD 4.28Å; F361-K373 HydrophobicContact CZ-CB 4.36Å; F361-V374 WeakPolarHBondContact CZ-O 3.49Å; F361-A375 HydrophobicContact CE2-CB 4.22Å; F361-A375 HydrophobicContact CZ-CB 4.49Å; F361-L399 HydrophobicContact CD2-CD1 4.42Å; F361-L399 HydrophobicContact CD2-CD2 3.45Å; F361-L399 VanDerWaalsContact CD2-CD2 3.45Å; F361-L399 HydrophobicContact CD2-CG 3.95Å; F361-L399 HydrophobicContact CE2-CD2 3.58Å; F361-L399 HydrophobicContact CE2-CG 4.03Å; F361-L399 HydrophobicContact CG-CD1 4.47Å; F361-L399 HydrophobicContact CG-CD2 4.26Å; F361-L399 HydrophobicContact CG-CG 4.36Å
362	N	90.4	Very high	89.8	Confident	53 Å²	53	45.6 Å²	45.6	28%	0.283	27%	0.273	S	S	.	.	S	Bend	trans	-124.9	162.8	173.6	67	63	0	0	0	112.3	N359 V360 A364 Q365 G366 A367	N359-N362 PolarHBondContact O-ND2 2.89Å; V360-N362 PolarHBondContact O-N 3.32Å; N362-A364 VanDerWaalsContact C-N 3.27Å; N362-A364 PolarHBondContact O-N 2.7Å; N362-A364 WeakPolarHBondContact OD1-CB 3.46Å; N362-A364 PolarHBondContact OD1-N 3.23Å; N362-A364 VanDerWaalsContact OD1-N 3.12Å; N362-Q365 PolarHBondContact O-N 2.75Å; N362-Q365 WeakPolarHBondContact OD1-CG 3.32Å; N362-Q365 PolarHBondContact OD1-N 2.83Å; N362-G366 PolarHBondContact O-N 2.86Å; N362-A367 WeakPolarHBondContact O-CB 3.45Å; N362-A367 PolarHBondContact O-N 3.09Å
363	I	87.9	Confident	89.2	Confident	127 Å²	127	47.6 Å²	47.6	65%	0.651	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-60.8	-37	-175.1	-60.7	173.7	0	0	0	111.5	Q365 G366 A367 P369	I363-Q365 PolarHBondContact O-N 2.82Å; I363-G366 PolarHBondContact O-N 3.01Å; I363-A367 WeakPolarHBondContact CA-O 3.36Å; I363-P369 HydrophobicContact CD1-CG 4.1Å; I363-P369 HydrophobicContact CG1-CG 4.43Å
364	A	90.7	Very high	88.7	Confident	90 Å²	90	48 Å²	48	74%	0.744	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-66.2	-25.5	179.2	0	0	0	0	0	112.8	N362	N362-A364 VanDerWaalsContact C-N 3.27Å; N362-A364 PolarHBondContact O-N 2.7Å; N362-A364 WeakPolarHBondContact OD1-CB 3.46Å; N362-A364 PolarHBondContact OD1-N 3.23Å; N362-A364 VanDerWaalsContact OD1-N 3.12Å
365	Q	94.5	Very high	88.5	Confident	64 Å²	64	44.9 Å²	44.9	30%	0.299	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-91.9	3.6	172.3	-62.3	-47.9	-70.5	0	0	113.3	P323 L324 G325 N359 V360 N362 I363	P323-Q365 HydrophobicContact CB-CB 3.9Å; P323-Q365 HydrophobicContact CB-CG 4.37Å; P323-Q365 WeakPolarHBondContact CB-O 3.4Å; L324-Q365 WeakPolarHBondContact CB-O 3.14Å; L324-Q365 PolarHBondContact N-O 3.47Å; L324-Q365 VanDerWaalsContact N-O 3.08Å; G325-Q365 PolarHBondContact N-O 2.96Å; N359-Q365 WeakPolarHBondContact O-CG 3.41Å; V360-Q365 VanDerWaalsContact O-CB 3.3Å; V360-Q365 WeakPolarHBondContact O-CB 3.28Å; N362-Q365 PolarHBondContact O-N 2.75Å; N362-Q365 WeakPolarHBondContact OD1-CG 3.32Å; N362-Q365 PolarHBondContact OD1-N 2.83Å; I363-Q365 PolarHBondContact O-N 2.82Å
366	G	88.9	Confident	88.2	Confident	19 Å²	19	43.6 Å²	43.6	20%	0.196	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	14.7	177.1	0	0	0	0	0	115.4	H308 N362 I363	H308-G366 PolarHBondContact ND1-O 3.03Å; N362-G366 PolarHBondContact O-N 2.86Å; I363-G366 PolarHBondContact O-N 3.01Å
367	A	89.3	Confident	88.2	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.041	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-72.3	137.6	167.7	0	0	0	0	0	110.7	D270 L324 N362 I363	D270-A367 VanDerWaalsContact OD2-CA 3.31Å; D270-A367 WeakPolarHBondContact OD2-CA 3.39Å; L324-A367 HydrophobicContact CD1-CB 3.79Å; N362-A367 WeakPolarHBondContact O-CB 3.45Å; N362-A367 PolarHBondContact O-N 3.09Å; I363-A367 WeakPolarHBondContact CA-O 3.36Å
368	R	83.4	Confident	88.3	Confident	39 Å²	39	43.1 Å²	43.1	15%	0.147	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-99.7	134.6	-174.1	-68.8	172.4	-68.1	172.8	7.1	110.9	I269 D270 E304 K305 N306 H308 V371 K373	I269-R368 PolarHBondContact O-NH2 3.42Å; D270-R368 IonicContact OD1-CZ 2.71Å; D270-R368 VanDerWaalsContact OD1-CZ 3.25Å; D270-R368 IonicContact OD1-NE 3.25Å; D270-R368 PolarHBondContact OD1-NE 3.39Å; D270-R368 IonicContact OD1-NH2 3.97Å; D270-R368 PolarHBondContact OD1-NH2 2.8Å; D270-R368 PolarHBondContact OD2-N 2.9Å; E304-R368 PolarHBondContact O-NH1 2.9Å; K305-R368 VanDerWaalsContact C-NH1 3.34Å; K305-R368 PolarHBondContact O-NH1 2.99Å; K305-R368 VanDerWaalsContact O-NH1 3.12Å; N306-R368 PolarHBondContact O-NH1 2.81Å; N306-R368 VanDerWaalsContact O-NH1 3.11Å; N306-R368 PolarHBondContact O-NH2 3.06Å; H308-R368 VanDerWaalsContact CE1-CD 3.5Å; H308-R368 WeakPolarHBondContact CE1-CD 3.43Å; H308-R368 PolarHBondContact ND1-NE 3.01Å; R368-V371 HydrophobicContact CB-CB 3.79Å; R368-V371 HydrophobicContact CB-CG1 4.48Å; R368-V371 HydrophobicContact CB-CG2 3.46Å; R368-V371 VanDerWaalsContact CB-CG2 3.46Å; R368-V371 PolarHBondContact O-N 2.77Å; R368-K373 PolarHBondContact O-NZ 3.15Å
369	P	78.6	Confident	88.2	Confident	102 Å²	102	39.6 Å²	39.6	66%	0.662	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	140	172.3	-22.6	33.7	0	0	0	111.2	I363 V371	I363-P369 HydrophobicContact CD1-CG 4.1Å; I363-P369 HydrophobicContact CG1-CG 4.43Å; P369-V371 PolarHBondContact O-N 2.8Å
370	G	69.5	Low	87.8	Confident	70 Å²	70	36.3 Å²	36.3	72%	0.722	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	-4.7	178.6	0	0	0	0	0	115.9
371	V	77.7	Confident	87	Confident	24 Å²	24	36.6 Å²	36.6	15%	0.145	23%	0.227	C	C	.	.	S	Bend	trans	-87	142	176.7	172.8	0	0	0	0	110.7	A268 D270 R368 P369 K373	A268-V371 HydrophobicContact CB-CG1 4.03Å; A268-V371 HydrophobicContact CB-CG2 3.93Å; A268-V371 WeakPolarHBondContact O-CG1 3.31Å; D270-V371 HydrophobicContact CB-CG1 4.34Å; R368-V371 HydrophobicContact CB-CB 3.79Å; R368-V371 HydrophobicContact CB-CG1 4.48Å; R368-V371 HydrophobicContact CB-CG2 3.46Å; R368-V371 VanDerWaalsContact CB-CG2 3.46Å; R368-V371 PolarHBondContact O-N 2.77Å; P369-V371 PolarHBondContact O-N 2.8Å; V371-K373 PolarHBondContact O-N 2.95Å; V371-K373 PolarHBondContact O-NZ 2.88Å
372	Q	77.7	Confident	86.8	Confident	57 Å²	57	44 Å²	44	27%	0.266	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.9	178	-176.8	58.9	26.7	0	0	110.6	D270 V374 E400	D270-Q372 PolarHBondContact N-O 2.92Å; Q372-V374 HydrophobicContact CG-CG2 4.09Å; Q372-E400 PolarHBondContact NE2-OE2 3.46Å
373	K	84.3	Confident	86.8	Confident	43 Å²	43	41.9 Å²	41.9	19%	0.187	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.5	-176.1	-67.4	172.2	-172.9	63.8	0	109.6	D270 F361 R368 V371 L399 E400	D270-K373 HydrophobicContact CB-CG 4.49Å; D270-K373 WeakPolarHBondContact O-CA 3.39Å; F361-K373 HydrophobicContact CB-CD 4.23Å; F361-K373 HydrophobicContact CD1-CB 3.77Å; F361-K373 HydrophobicContact CD1-CD 3.82Å; F361-K373 HydrophobicContact CD1-CG 3.66Å; F361-K373 HydrophobicContact CE1-CB 3.66Å; F361-K373 HydrophobicContact CE1-CG 3.96Å; F361-K373 HydrophobicContact CG-CD 4.28Å; F361-K373 HydrophobicContact CZ-CB 4.36Å; R368-K373 PolarHBondContact O-NZ 3.15Å; V371-K373 PolarHBondContact O-N 2.95Å; V371-K373 PolarHBondContact O-NZ 2.88Å; K373-L399 HydrophobicContact CB-CD1 4.38Å; K373-L399 HydrophobicContact CB-CG 4.26Å; K373-L399 HydrophobicContact CD-CD1 4.35Å; K373-E400 PolarHBondContact O-N 3.16Å
374	V	86.9	Confident	87	Confident	10 Å²	10	41.8 Å²	41.8	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.8	-176.3	-179.1	0	0	0	0	110.1	I269 D270 A271 V272 F361 Q372 I376 E400 Y402	I269-V374 HydrophobicContact CD1-CB 4.24Å; I269-V374 HydrophobicContact CD1-CG2 3.63Å; I269-V374 HydrophobicContact CG1-CG2 4.09Å; D270-V374 PolarHBondContact O-N 3.02Å; A271-V374 CarbonylContact C-O 3.43Å; A271-V374 WeakPolarHBondContact CA-O 3.49Å; V272-V374 PolarHBondContact N-O 3.32Å; F361-V374 WeakPolarHBondContact CZ-O 3.49Å; Q372-V374 HydrophobicContact CG-CG2 4.09Å; V374-I376 HydrophobicContact CG1-CG1 4.14Å; V374-E400 CarbonylContact C-O 3.53Å; V374-E400 WeakPolarHBondContact CA-O 3.17Å; V374-E400 HydrophobicContact CG2-CB 4.27Å; V374-Y402 HydrophobicContact CG1-CD2 3.65Å; V374-Y402 HydrophobicContact CG1-CE2 3.81Å
375	A	93.4	Very high	87.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.1	171.4	0	0	0	0	0	110.2	V272 T356 F361 E400 M401 Y402	V272-A375 WeakPolarHBondContact O-CA 3.3Å; T356-A375 HydrophobicContact CG2-CB 4.5Å; F361-A375 HydrophobicContact CE2-CB 4.22Å; F361-A375 HydrophobicContact CZ-CB 4.49Å; A375-E400 PolarHBondContact N-O 3.32Å; A375-M401 HydrophobicContact CB-CE 3.74Å; A375-M401 HydrophobicContact CB-SD 3.62Å; A375-Y402 PolarHBondContact O-N 3.29Å
376	I	92.5	Very high	87	Confident	21 Å²	21	43.7 Å²	43.7	11%	0.108	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.9	178.5	-54.9	171.1	0	0	0	107.6	V272 F273 V274 W292 V374 V404	V272-I376 PolarHBondContact O-N 3.34Å; F273-I376 HydrophobicContact CD1-CB 4.13Å; F273-I376 HydrophobicContact CD1-CD1 4.25Å; F273-I376 HydrophobicContact CD1-CG2 4.36Å; F273-I376 HydrophobicContact CE1-CB 4.43Å; F273-I376 HydrophobicContact CE1-CD1 3.75Å; F273-I376 HydrophobicContact CZ-CD1 4.27Å; V274-I376 PolarHBondContact N-O 3.33Å; W292-I376 HydrophobicContact CH2-CG2 3.72Å; V374-I376 HydrophobicContact CG1-CG1 4.14Å; I376-V404 HydrophobicContact CG2-CG2 4.41Å
377	V	96.3	Very high	87.2	Confident	2 Å²	2	43 Å²	43	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.6	-175.9	-171.6	0	0	0	0	109.5	V274 T349 L353 M401 Y402 V404 I417	V274-V377 HydrophobicContact CB-CG1 4.47Å; V274-V377 HydrophobicContact CB-CG2 4.21Å; V274-V377 HydrophobicContact CG2-CG2 4.48Å; V274-V377 CarbonylContact O-C 3.59Å; V274-V377 WeakPolarHBondContact O-CA 3.4Å; T349-V377 HydrophobicContact CG2-CG1 4.31Å; L353-V377 HydrophobicContact CD2-CG2 3.82Å; V377-M401 HydrophobicContact CG2-CE 3.78Å; V377-Y402 PolarHBondContact N-O 2.65Å; V377-V404 PolarHBondContact O-N 3.06Å; V377-I417 HydrophobicContact CB-CG2 4.07Å; V377-I417 HydrophobicContact CG1-CD1 4.33Å; V377-I417 HydrophobicContact CG1-CG2 4.44Å; V377-I417 HydrophobicContact CG2-CG2 3.78Å
378	F	94.4	Very high	87.2	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128	177.3	-177.8	-85.6	0	0	0	110	V274 I275 D276 V289 W292 Y314 V404 V406 F432 M435	V274-F378 PolarHBondContact O-N 2.84Å; I275-F378 HydrophobicContact CD1-CB 3.71Å; D276-F378 HydrophobicContact CB-CD1 4.39Å; D276-F378 WeakPolarHBondContact CB-O 3.38Å; D276-F378 PolarHBondContact N-O 2.92Å; V289-F378 HydrophobicContact CG1-CD1 4.3Å; V289-F378 HydrophobicContact CG1-CE1 4.44Å; V289-F378 HydrophobicContact CG2-CD1 4.22Å; V289-F378 HydrophobicContact CG2-CE1 3.55Å; V289-F378 HydrophobicContact CG2-CE2 4.33Å; V289-F378 HydrophobicContact CG2-CZ 3.62Å; W292-F378 HydrophobicContact CH2-CD2 4.48Å; W292-F378 HydrophobicContact CZ3-CD2 4.2Å; Y314-F378 PolarHBondContact OH-O 2.61Å; F378-V404 WeakPolarHBondContact CA-O 3.44Å; F378-V404 HydrophobicContact CD2-CB 4.1Å; F378-V404 HydrophobicContact CD2-CG1 3.85Å; F378-V404 HydrophobicContact CE2-CG1 4.1Å; F378-V406 HydrophobicContact CE2-CB 4.36Å; F378-V406 HydrophobicContact CE2-CG2 3.39Å; F378-V406 HydrophobicContact CZ-CB 4.01Å; F378-V406 HydrophobicContact CZ-CG2 3.5Å; F378-F432 AromaticContact CE1-CE1 3.99Å; F378-F432 HydrophobicContact CE1-CE1 3.99Å; F378-F432 HydrophobicContact CZ-CD1 4.16Å; F378-F432 AromaticContact CZ-CE1 3.6Å; F378-F432 HydrophobicContact CZ-CE1 3.6Å; F378-F432 HydrophobicContact CZ-CZ 4.44Å; F378-M435 HydrophobicContact CD2-SD 4.11Å; F378-M435 HydrophobicContact CE2-CG 4.38Å; F378-M435 HydrophobicContact CE2-SD 3.26Å; F378-M435 WeakPolarHBondContact CE2-SD 3.4Å; F378-M435 HydrophobicContact CZ-SD 3.83Å
379	T	93.7	Very high	87.6	Confident	3 Å²	3	46 Å²	46	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.4	175.8	-177.7	0	0	0	0	111.7	D276 Y314 G381 V404 G405 V406 A409 L414	D276-T379 PolarHBondContact OD2-OG1 2.97Å; Y314-T379 WeakPolarHBondContact OH-CB 3.45Å; T379-G381 PolarHBondContact OG1-N 3.39Å; T379-G381 PolarHBondContact OG1-O 3.01Å; T379-V404 PolarHBondContact N-O 3.36Å; T379-G405 WeakPolarHBondContact O-CA 3.45Å; T379-V406 PolarHBondContact O-N 3.21Å; T379-A409 HydrophobicContact CG2-CB 4.17Å; T379-L414 HydrophobicContact CG2-CD2 3.55Å
380	D	85.8	Confident	88.3	Confident	10 Å²	10	41.2 Å²	41.2	5%	0.053	21%	0.21	C	C	.	.	S	Bend	trans	-108.6	-0.7	175.6	93.6	-48.5	0	0	0	114.7	D276 S280 V281 V406 N408 A409 F432	D276-D380 PolarHBondContact OD2-N 2.04Å; S280-D380 WeakPolarHBondContact CB-OD1 3.35Å; S280-D380 WeakPolarHBondContact CB-OD2 3.46Å; S280-D380 VanDerWaalsContact O-OD2 3.06Å; S280-D380 PolarHBondContact OG-OD1 2.79Å; V281-D380 WeakPolarHBondContact CA-OD2 3.38Å; V281-D380 HydrophobicContact CG2-CB 3.98Å; V281-D380 VanDerWaalsContact CG2-CG 3.48Å; V281-D380 WeakPolarHBondContact CG2-OD1 3.36Å; V281-D380 PolarHBondContact N-OD1 3.03Å; V281-D380 PolarHBondContact N-OD2 3.01Å; D380-V406 CarbonylContact C-O 3.48Å; D380-V406 WeakPolarHBondContact CA-O 3.31Å; D380-V406 VanDerWaalsContact O-O 3.12Å; D380-N408 CarbonylContact O-C 3.53Å; D380-N408 PolarHBondContact O-N 2.8Å; D380-A409 PolarHBondContact O-N 3.32Å; D380-F432 HydrophobicContact CB-CE1 4.49Å; D380-F432 HydrophobicContact CB-CE2 4.31Å; D380-F432 HydrophobicContact CB-CZ 3.59Å
381	G	79.3	Confident	89.4	Confident	7 Å²	7	37.9 Å²	37.9	7%	0.072	18%	0.176	C	C	.	.	S	Bend	trans	-156.4	-178.6	-171.6	0	0	0	0	0	113.7	T379	T379-G381 PolarHBondContact OG1-N 3.39Å; T379-G381 PolarHBondContact OG1-O 3.01Å
382	R	86.9	Confident	90	Very high	177 Å²	177	43 Å²	43	67%	0.668	20%	0.196	S	C	*	.			trans	-75.3	135.8	176.8	-168.8	-173.1	177.4	178.1	-2.4	110.5	L410 E413	R382-L410 HydrophobicContact CG-CD2 4.26Å; R382-E413 WeakPolarHBondContact CA-OE2 3.46Å; R382-E413 WeakPolarHBondContact CG-OE1 3.45Å; R382-E413 IonicContact NE-OE1 2.67Å
383	S	91.8	Very high	90.6	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.063	20%	0.199	C	C	.	.			trans	-63.8	145.7	173.3	-145	0	0	0	0	112.2	T347 T349 D385 E413	T347-S383 WeakPolarHBondContact O-CA 3.37Å; T347-S383 PolarHBondContact O-OG 3.24Å; T349-S383 WeakPolarHBondContact CB-OG 3.44Å; T349-S383 PolarHBondContact N-OG 2.97Å; T349-S383 PolarHBondContact OG1-OG 2.96Å; T349-S383 VanDerWaalsContact OG1-OG 3.05Å; S383-D385 PolarHBondContact OG-OD1 3.14Å; S383-E413 PolarHBondContact N-OE2 2.87Å
384	Q	91.5	Very high	91	Very high	125 Å²	125	42 Å²	42	58%	0.584	19%	0.191	S	C	*	.	S	Bend	trans	-93.8	-4.1	176.3	-63.5	177.7	11.1	0	0	112.8	T347 M348	T347-Q384 PolarHBondContact O-N 3.02Å; M348-Q384 HydrophobicContact SD-CB 3.96Å
385	D	94.1	Very high	91.1	Very high	44 Å²	44	44.6 Å²	44.6	24%	0.235	20%	0.202	C	C	.	.	S	Bend	trans	-126.4	170.7	175.6	63.2	-10.5	0	0	0	111.2	M348 T349 G350 L351 S383	M348-D385 HydrophobicContact SD-CB 3.83Å; T349-D385 PolarHBondContact N-OD1 3.31Å; G350-D385 VanDerWaalsContact CA-OD2 3.29Å; G350-D385 WeakPolarHBondContact CA-OD2 3.44Å; G350-D385 PolarHBondContact N-OD1 2.67Å; G350-D385 PolarHBondContact N-OD2 3.06Å; G350-D385 VanDerWaalsContact N-OD2 3.13Å; L351-D385 PolarHBondContact N-OD2 3.09Å; S383-D385 PolarHBondContact OG-OD1 3.14Å
386	Y	90.1	Very high	90.7	Very high	151 Å²	151	50.1 Å²	50.1	59%	0.592	23%	0.231	S	C	*	.			trans	-80.6	124.6	179.1	-176.1	-110	0	0	0	111.1	D389	Y386-D389 HydrophobicContact CE1-CB 4.22Å
387	I	94.3	Very high	90.2	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	25%	0.25	C	S	.	.			trans	-96.4	-19.1	-175.9	65	170	0	0	0	113.9	T349 L353 D389 A390 A391 E413 Q416 I417	T349-I387 HydrophobicContact CG2-CG2 4.37Å; L353-I387 HydrophobicContact CD1-CB 4.33Å; I387-D389 PolarHBondContact O-N 3.31Å; I387-A390 PolarHBondContact O-N 2.88Å; I387-A391 WeakPolarHBondContact O-CB 3.47Å; I387-A391 PolarHBondContact O-N 3.02Å; I387-E413 HydrophobicContact CD1-CB 3.51Å; I387-E413 HydrophobicContact CD1-CG 3.63Å; I387-Q416 HydrophobicContact CD1-CB 4.19Å; I387-Q416 HydrophobicContact CD1-CG 4.47Å; I387-I417 HydrophobicContact CD1-CD1 4.2Å; I387-I417 HydrophobicContact CD1-CG1 4.03Å
388	G	89.1	Confident	89.4	Confident	5 Å²	5	55.8 Å²	55.8	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-47.2	-163.9	0	0	0	0	0	114	A390 K392 Q416	G388-A390 VanDerWaalsContact C-N 3.35Å; G388-K392 VanDerWaalsContact O-CB 3.31Å; G388-K392 WeakPolarHBondContact O-CB 3.41Å; G388-K392 PolarHBondContact O-N 3.01Å; G388-Q416 VanDerWaalsContact CA-NE2 3.31Å
389	D	91.4	Very high	89	Confident	103 Å²	103	56.1 Å²	56.1	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-69.5	-36.5	-179.6	-66.7	-16.9	0	0	0	111.5	Y386 I387 K393	Y386-D389 HydrophobicContact CE1-CB 4.22Å; I387-D389 PolarHBondContact O-N 3.31Å; D389-K393 VanDerWaalsContact O-CB 3.22Å; D389-K393 WeakPolarHBondContact O-CB 3.5Å; D389-K393 PolarHBondContact O-N 2.94Å
390	A	93.1	Very high	88.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-48.2	177.9	0	0	0	0	0	111.7	G350 L353 H354 I387 G388 K393 A394	G350-A390 WeakPolarHBondContact O-CB 3.34Å; L353-A390 HydrophobicContact CB-CB 3.61Å; L353-A390 HydrophobicContact CD1-CB 4.35Å; H354-A390 VanDerWaalsContact CD2-CB 3.45Å; H354-A390 WeakPolarHBondContact CD2-CB 3.49Å; I387-A390 PolarHBondContact O-N 2.88Å; G388-A390 VanDerWaalsContact C-N 3.35Å; A390-K393 PolarHBondContact O-N 3.34Å; A390-A394 PolarHBondContact O-N 3.46Å
391	A	93.4	Very high	88.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-44.3	176.4	0	0	0	0	0	111.6	L353 I387 K393 A394 K395	L353-A391 HydrophobicContact CD1-CB 4.19Å; I387-A391 WeakPolarHBondContact O-CB 3.47Å; I387-A391 PolarHBondContact O-N 3.02Å; A391-K393 PolarHBondContact O-N 3.39Å; A391-A394 PolarHBondContact O-N 3.24Å; A391-K395 WeakPolarHBondContact O-CG 3.22Å; A391-K395 PolarHBondContact O-N 3.42Å
392	K	89.4	Confident	89.1	Confident	133 Å²	133	57.3 Å²	57.3	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-61.8	-43.4	176.5	-173.9	175.6	-178	176.7	0	111.5	G388 K395 N396	G388-K392 VanDerWaalsContact O-CB 3.31Å; G388-K392 WeakPolarHBondContact O-CB 3.41Å; G388-K392 PolarHBondContact O-N 3.01Å; K392-K395 PolarHBondContact O-N 3.19Å; K392-N396 WeakPolarHBondContact O-CB 3.19Å; K392-N396 PolarHBondContact O-N 2.93Å; K392-N396 PolarHBondContact O-OD1 2.68Å
393	K	91.9	Very high	89.2	Confident	75 Å²	75	48.9 Å²	48.9	33%	0.326	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-47.7	176.4	-178.2	178.5	179.7	-179.5	0	111.6	D358 D389 A390 A391 K395 N396 L397	D358-K393 WeakPolarHBondContact OD1-CE 3.34Å; D358-K393 IonicContact OD1-NZ 3.94Å; D358-K393 PolarHBondContact OD1-NZ 3.16Å; D358-K393 IonicContact OD2-NZ 3.23Å; D358-K393 PolarHBondContact OD2-NZ 3.3Å; D389-K393 VanDerWaalsContact O-CB 3.22Å; D389-K393 WeakPolarHBondContact O-CB 3.5Å; D389-K393 PolarHBondContact O-N 2.94Å; A390-K393 PolarHBondContact O-N 3.34Å; A391-K393 PolarHBondContact O-N 3.39Å; K393-K395 PolarHBondContact O-N 2.89Å; K393-N396 PolarHBondContact O-N 3.34Å; K393-L397 HydrophobicContact CG-CD1 4.37Å; K393-L397 WeakPolarHBondContact O-CG 2.95Å; K393-L397 PolarHBondContact O-N 3.1Å; K393-L397 VanDerWaalsContact O-N 3.09Å
394	A	92.6	Very high	89.1	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-48.4	177.4	0	0	0	0	0	111.7	A357 A390 A391 N396 L397 L399 M401	A357-A394 HydrophobicContact CB-CB 4.27Å; A390-A394 PolarHBondContact O-N 3.46Å; A391-A394 PolarHBondContact O-N 3.24Å; A394-N396 PolarHBondContact O-N 3.13Å; A394-L397 WeakPolarHBondContact O-CB 3.32Å; A394-L397 PolarHBondContact O-N 3.1Å; A394-L399 HydrophobicContact CB-CD2 4.09Å; A394-L399 WeakPolarHBondContact O-CB 3.32Å; A394-L399 PolarHBondContact O-N 3.46Å; A394-M401 HydrophobicContact CB-CE 4.3Å; A394-M401 HydrophobicContact CB-SD 3.79Å
395	K	87.8	Confident	88.9	Confident	65 Å²	65	42.6 Å²	42.6	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-62	-41.9	177.3	-71.1	-172.8	-77.8	-164.3	0	112.8	A391 K392 K393 L397 G398 M401 Q416 A418	A391-K395 WeakPolarHBondContact O-CG 3.22Å; A391-K395 PolarHBondContact O-N 3.42Å; K392-K395 PolarHBondContact O-N 3.19Å; K393-K395 PolarHBondContact O-N 2.89Å; K395-L397 PolarHBondContact O-N 3.02Å; K395-G398 WeakPolarHBondContact O-CA 3.47Å; K395-G398 PolarHBondContact O-N 3.4Å; K395-M401 HydrophobicContact CG-CG 3.76Å; K395-Q416 PolarHBondContact NZ-O 2.88Å; K395-A418 PolarHBondContact NZ-O 3.35Å
396	N	84.9	Confident	88.5	Confident	117 Å²	117	40.5 Å²	40.5	63%	0.626	20%	0.203	S	C	*	.	H	α-helix	trans	-64.8	-26.8	177.4	-73	-5	0	0	0	113.4	K392 K393 A394 G398	K392-N396 WeakPolarHBondContact O-CB 3.19Å; K392-N396 PolarHBondContact O-N 2.93Å; K392-N396 PolarHBondContact O-OD1 2.68Å; K393-N396 PolarHBondContact O-N 3.34Å; A394-N396 PolarHBondContact O-N 3.13Å; N396-G398 PolarHBondContact O-N 3.38Å
397	L	82.7	Confident	88.2	Confident	97 Å²	97	34.1 Å²	34.1	51%	0.508	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-1.3	172.1	-69.6	170.6	0	0	0	112.9	A357 K393 A394 K395 L399	A357-L397 HydrophobicContact CB-CD1 3.96Å; K393-L397 HydrophobicContact CG-CD1 4.37Å; K393-L397 WeakPolarHBondContact O-CG 2.95Å; K393-L397 PolarHBondContact O-N 3.1Å; K393-L397 VanDerWaalsContact O-N 3.09Å; A394-L397 WeakPolarHBondContact O-CB 3.32Å; A394-L397 PolarHBondContact O-N 3.1Å; K395-L397 PolarHBondContact O-N 3.02Å; L397-L399 HydrophobicContact CB-CD1 3.86Å
398	G	80.1	Confident	87.6	Confident	44 Å²	44	40.9 Å²	40.9	45%	0.454	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	20.6	179.8	0	0	0	0	0	113.7	K395 N396	K395-G398 WeakPolarHBondContact O-CA 3.47Å; K395-G398 PolarHBondContact O-N 3.4Å; N396-G398 PolarHBondContact O-N 3.38Å
399	L	85.3	Confident	87.5	Confident	7 Å²	7	41 Å²	41	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.8	170.5	-77.6	55.8	0	0	0	109.1	F361 K373 A394 L397 M401	F361-L399 HydrophobicContact CD2-CD1 4.42Å; F361-L399 HydrophobicContact CD2-CD2 3.45Å; F361-L399 VanDerWaalsContact CD2-CD2 3.45Å; F361-L399 HydrophobicContact CD2-CG 3.95Å; F361-L399 HydrophobicContact CE2-CD2 3.58Å; F361-L399 HydrophobicContact CE2-CG 4.03Å; F361-L399 HydrophobicContact CG-CD1 4.47Å; F361-L399 HydrophobicContact CG-CD2 4.26Å; F361-L399 HydrophobicContact CG-CG 4.36Å; K373-L399 HydrophobicContact CB-CD1 4.38Å; K373-L399 HydrophobicContact CB-CG 4.26Å; K373-L399 HydrophobicContact CD-CD1 4.35Å; A394-L399 HydrophobicContact CB-CD2 4.09Å; A394-L399 WeakPolarHBondContact O-CB 3.32Å; A394-L399 PolarHBondContact O-N 3.46Å; L397-L399 HydrophobicContact CB-CD1 3.86Å; L399-M401 HydrophobicContact CB-SD 3.77Å; L399-M401 HydrophobicContact CD2-SD 4.25Å
400	E	83.9	Confident	87.2	Confident	25 Å²	25	39.3 Å²	39.3	12%	0.117	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.8	168.5	-170.9	-178.4	164.3	0	0	109	Q372 K373 V374 A375 Y402 H425	Q372-E400 PolarHBondContact NE2-OE2 3.46Å; K373-E400 PolarHBondContact O-N 3.16Å; V374-E400 CarbonylContact C-O 3.53Å; V374-E400 WeakPolarHBondContact CA-O 3.17Å; V374-E400 HydrophobicContact CG2-CB 4.27Å; A375-E400 PolarHBondContact N-O 3.32Å; E400-Y402 HydrophobicContact CG-CE2 3.78Å; E400-Y402 WeakPolarHBondContact OE1-CE2 3.47Å; E400-Y402 PolarHBondContact OE1-OH 3.33Å; E400-H425 IonicContact OE1-NE2 2.76Å
401	M	88.8	Confident	86.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.1	-168.9	-57.6	-63.4	-57.5	0	0	110.1	L353 A375 V377 A394 K395 L399 I417 A418 S419	L353-M401 HydrophobicContact CD2-CE 3.62Å; A375-M401 HydrophobicContact CB-CE 3.74Å; A375-M401 HydrophobicContact CB-SD 3.62Å; V377-M401 HydrophobicContact CG2-CE 3.78Å; A394-M401 HydrophobicContact CB-CE 4.3Å; A394-M401 HydrophobicContact CB-SD 3.79Å; K395-M401 HydrophobicContact CG-CG 3.76Å; L399-M401 HydrophobicContact CB-SD 3.77Å; L399-M401 HydrophobicContact CD2-SD 4.25Å; M401-I417 WeakPolarHBondContact CB-O 3.14Å; M401-I417 HydrophobicContact CE-CG2 4.15Å; M401-A418 WeakPolarHBondContact O-CA 3.38Å; M401-S419 PolarHBondContact N-OG 3.25Å; M401-S419 PolarHBondContact O-N 2.74Å
402	Y	87.3	Confident	86.4	Confident	21 Å²	21	46.5 Å²	46.5	8%	0.082	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.1	170.2	-69.7	-92.1	0	0	0	109.8	V374 A375 V377 E400 H425 F427 F459	V374-Y402 HydrophobicContact CG1-CD2 3.65Å; V374-Y402 HydrophobicContact CG1-CE2 3.81Å; A375-Y402 PolarHBondContact O-N 3.29Å; V377-Y402 PolarHBondContact N-O 2.65Å; E400-Y402 HydrophobicContact CG-CE2 3.78Å; E400-Y402 WeakPolarHBondContact OE1-CE2 3.47Å; E400-Y402 PolarHBondContact OE1-OH 3.33Å; Y402-H425 CarbonylContact C-O 3.55Å; Y402-H425 VanDerWaalsContact CA-O 3.31Å; Y402-H425 WeakPolarHBondContact CA-O 3.49Å; Y402-H425 HydrophobicContact CD1-CB 4.45Å; Y402-H425 AromaticContact CD1-CD2 3.94Å; Y402-H425 AromaticContact CE1-CD2 3.54Å; Y402-H425 AromaticContact CE2-CD2 3.96Å; Y402-H425 AromaticContact CZ-CD2 3.54Å; Y402-H425 AromaticContact CZ-NE2 3.89Å; Y402-F427 AromaticContact CD1-CE2 3.99Å; Y402-F427 HydrophobicContact CD1-CE2 3.99Å; Y402-F459 HydrophobicContact CE1-CE1 4.11Å; Y402-F459 HydrophobicContact CE1-CZ 4.35Å
403	A	90.6	Very high	86.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.3	179.6	0	0	0	0	0	110.8	L414 I417 A418 H425 Y426 F427	A403-L414 HydrophobicContact CB-CB 3.97Å; A403-L414 HydrophobicContact CB-CD2 4.06Å; A403-L414 VanDerWaalsContact CB-O 3.31Å; A403-L414 WeakPolarHBondContact CB-O 3.35Å; A403-I417 HydrophobicContact CB-CB 4.05Å; A403-I417 HydrophobicContact CB-CG2 4.01Å; A403-A418 HydrophobicContact CB-CB 4.41Å; A403-H425 PolarHBondContact N-O 3.04Å; A403-Y426 CarbonylContact O-C 3.55Å; A403-Y426 WeakPolarHBondContact O-CA 3.43Å; A403-F427 PolarHBondContact O-N 3.49Å
404	V	89.1	Confident	86.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108.9	179.2	-176.3	0	0	0	0	108.6	W292 I376 V377 F378 T379 F427 I438	W292-V404 HydrophobicContact CH2-CG2 4.11Å; W292-V404 HydrophobicContact CZ2-CG1 4.35Å; W292-V404 HydrophobicContact CZ2-CG2 4.07Å; I376-V404 HydrophobicContact CG2-CG2 4.41Å; V377-V404 PolarHBondContact O-N 3.06Å; F378-V404 WeakPolarHBondContact CA-O 3.44Å; F378-V404 HydrophobicContact CD2-CB 4.1Å; F378-V404 HydrophobicContact CD2-CG1 3.85Å; F378-V404 HydrophobicContact CE2-CG1 4.1Å; T379-V404 PolarHBondContact N-O 3.36Å; V404-F427 WeakPolarHBondContact CA-O 3.4Å; V404-F427 HydrophobicContact CG2-CD2 4.28Å; V404-I438 HydrophobicContact CG1-CD1 4.01Å
405	G	88.4	Confident	86.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.5	175.4	0	0	0	0	0	112.1	T379 A409 F427 Y428 T429	T379-G405 WeakPolarHBondContact O-CA 3.45Å; G405-A409 VanDerWaalsContact CA-CB 3.49Å; G405-F427 PolarHBondContact N-O 2.88Å; G405-Y428 WeakPolarHBondContact O-CA 3.37Å; G405-T429 PolarHBondContact O-N 2.9Å
406	V	85.4	Confident	86.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.2	173.1	-174.3	0	0	0	0	110.9	F378 T379 D380 N408 A409 T429 F432 M435	F378-V406 HydrophobicContact CE2-CB 4.36Å; F378-V406 HydrophobicContact CE2-CG2 3.39Å; F378-V406 HydrophobicContact CZ-CB 4.01Å; F378-V406 HydrophobicContact CZ-CG2 3.5Å; T379-V406 PolarHBondContact O-N 3.21Å; D380-V406 CarbonylContact C-O 3.48Å; D380-V406 WeakPolarHBondContact CA-O 3.31Å; D380-V406 VanDerWaalsContact O-O 3.12Å; V406-N408 PolarHBondContact O-N 2.87Å; V406-A409 PolarHBondContact O-N 2.81Å; V406-T429 CarbonylContact C-O 3.57Å; V406-T429 VanDerWaalsContact CA-O 3.25Å; V406-T429 WeakPolarHBondContact CA-O 3.49Å; V406-T429 HydrophobicContact CB-CG2 4.42Å; V406-T429 HydrophobicContact CG1-CG2 4.15Å; V406-T429 HydrophobicContact CG2-CG2 3.85Å; V406-F432 HydrophobicContact CB-CD1 4.37Å; V406-F432 HydrophobicContact CB-CD2 4.44Å; V406-F432 HydrophobicContact CB-CE1 4.18Å; V406-F432 HydrophobicContact CB-CE2 4.23Å; V406-F432 HydrophobicContact CB-CZ 4.12Å; V406-F432 HydrophobicContact CG1-CB 4.23Å; V406-F432 HydrophobicContact CG1-CD1 3.85Å; V406-F432 HydrophobicContact CG1-CD2 3.4Å; V406-F432 HydrophobicContact CG1-CE1 4.04Å; V406-F432 HydrophobicContact CG1-CE2 3.59Å; V406-F432 HydrophobicContact CG1-CG 3.54Å; V406-F432 HydrophobicContact CG1-CZ 3.93Å; V406-M435 HydrophobicContact CG2-SD 4.44Å
407	G	83.5	Confident	87	Confident	16 Å²	16	36.2 Å²	36.2	17%	0.165	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-109.9	172.6	0	0	0	0	0	112.5	A409 Y428 T429	G407-A409 VanDerWaalsContact C-N 3.35Å; G407-Y428 WeakPolarHBondContact O-CE2 3.15Å; G407-Y428 PolarHBondContact O-OH 3.2Å; G407-T429 PolarHBondContact N-O 3.19Å
408	N	81.6	Confident	87.1	Confident	146 Å²	146	31.6 Å²	31.6	78%	0.781	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	12.4	-174.2	-64.6	-44	0	0	0	113.6	D380 V406 L410	D380-N408 CarbonylContact O-C 3.53Å; D380-N408 PolarHBondContact O-N 2.8Å; V406-N408 PolarHBondContact O-N 2.87Å; N408-L410 PolarHBondContact O-N 3.24Å
409	A	87	Confident	87.3	Confident	8 Å²	8	30.1 Å²	30.1	7%	0.066	16%	0.161	C	C	.	.			trans	-55.9	133.9	175.2	0	0	0	0	0	111.3	T379 D380 G405 V406 G407 E411 L414	T379-A409 HydrophobicContact CG2-CB 4.17Å; D380-A409 PolarHBondContact O-N 3.32Å; G405-A409 VanDerWaalsContact CA-CB 3.49Å; V406-A409 PolarHBondContact O-N 2.81Å; G407-A409 VanDerWaalsContact C-N 3.35Å; A409-E411 PolarHBondContact O-N 2.74Å; A409-L414 HydrophobicContact CB-CD1 4.36Å
410	L	85.7	Confident	86.9	Confident	67 Å²	67	36.3 Å²	36.3	35%	0.351	19%	0.19	S	C	.	.			trans	-82	114.7	-178.8	-174.4	63.1	0	0	0	110	R382 N408 S412 E413 L414	R382-L410 HydrophobicContact CG-CD2 4.26Å; N408-L410 PolarHBondContact O-N 3.24Å; L410-S412 WeakPolarHBondContact CD2-OG 3.39Å; L410-S412 VanDerWaalsContact CG-OG 3.32Å; L410-S412 WeakPolarHBondContact CG-OG 3.2Å; L410-S412 PolarHBondContact O-N 2.88Å; L410-S412 VanDerWaalsContact O-N 3.16Å; L410-E413 HydrophobicContact CB-CB 4.35Å; L410-E413 HydrophobicContact CB-CG 4.24Å; L410-E413 HydrophobicContact CD2-CG 4Å; L410-E413 HydrophobicContact CG-CG 4.39Å; L410-E413 WeakPolarHBondContact O-CB 3.46Å; L410-E413 PolarHBondContact O-N 2.9Å; L410-L414 PolarHBondContact O-N 2.79Å
411	E	84.4	Confident	86.3	Confident	76 Å²	76	38.4 Å²	38.4	36%	0.355	21%	0.206	S	C	.	.	H	α-helix	trans	-57.9	-34.5	-175.4	-165	-175.3	158	0	0	113.2	A409 E413 L414 K415 Y426	A409-E411 PolarHBondContact O-N 2.74Å; E411-E413 VanDerWaalsContact C-N 3.27Å; E411-E413 PolarHBondContact O-N 2.83Å; E411-L414 PolarHBondContact O-N 3.26Å; E411-K415 HydrophobicContact CG-CD 4.5Å; E411-K415 WeakPolarHBondContact O-CG 3.49Å; E411-K415 PolarHBondContact O-N 2.87Å; E411-K415 WeakPolarHBondContact OE1-CE 3.03Å; E411-K415 IonicContact OE1-NZ 2.73Å; E411-K415 PolarHBondContact OE1-NZ 2.96Å; E411-Y426 HydrophobicContact CG-CD2 4.22Å; E411-Y426 HydrophobicContact CG-CE2 3.62Å; E411-Y426 VanDerWaalsContact OE1-CE2 3.31Å; E411-Y426 WeakPolarHBondContact OE1-CE2 3.14Å; E411-Y426 VanDerWaalsContact OE1-CZ 3.31Å; E411-Y426 PolarHBondContact OE1-OH 3.42Å
412	S	85.3	Confident	85.5	Confident	75 Å²	75	40.8 Å²	40.8	52%	0.524	22%	0.218	S	C	.	.	H	α-helix	trans	-64	-32.5	176	60.5	0	0	0	0	112.9	L410 Q416	L410-S412 WeakPolarHBondContact CD2-OG 3.39Å; L410-S412 VanDerWaalsContact CG-OG 3.32Å; L410-S412 WeakPolarHBondContact CG-OG 3.2Å; L410-S412 PolarHBondContact O-N 2.88Å; L410-S412 VanDerWaalsContact O-N 3.16Å; S412-Q416 PolarHBondContact O-N 3.13Å
413	E	91.4	Very high	84.5	Confident	23 Å²	23	42.3 Å²	42.3	11%	0.107	24%	0.24	C	C	.	.	H	α-helix	trans	-72	-41.7	175.3	-73.9	177.6	-174.1	0	0	110.8	R382 S383 I387 L410 E411 K415 Q416 I417	R382-E413 WeakPolarHBondContact CA-OE2 3.46Å; R382-E413 WeakPolarHBondContact CG-OE1 3.45Å; R382-E413 IonicContact NE-OE1 2.67Å; S383-E413 PolarHBondContact N-OE2 2.87Å; I387-E413 HydrophobicContact CD1-CB 3.51Å; I387-E413 HydrophobicContact CD1-CG 3.63Å; L410-E413 HydrophobicContact CB-CB 4.35Å; L410-E413 HydrophobicContact CB-CG 4.24Å; L410-E413 HydrophobicContact CD2-CG 4Å; L410-E413 HydrophobicContact CG-CG 4.39Å; L410-E413 WeakPolarHBondContact O-CB 3.46Å; L410-E413 PolarHBondContact O-N 2.9Å; E411-E413 VanDerWaalsContact C-N 3.27Å; E411-E413 PolarHBondContact O-N 2.83Å; E413-K415 VanDerWaalsContact C-N 3.35Å; E413-K415 PolarHBondContact O-N 3.18Å; E413-Q416 WeakPolarHBondContact O-CB 3.38Å; E413-Q416 PolarHBondContact O-N 3.06Å; E413-Q416 VanDerWaalsContact O-N 3.14Å; E413-I417 VanDerWaalsContact O-CG1 3.31Å; E413-I417 WeakPolarHBondContact O-CG1 3.11Å; E413-I417 PolarHBondContact O-N 3.2Å
414	L	90.2	Very high	83.4	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-45.6	175.5	-57.6	173.9	0	0	0	111.6	T379 A403 A409 L410 E411 Q416 I417 A418 Y426 Y428	T379-L414 HydrophobicContact CG2-CD2 3.55Å; A403-L414 HydrophobicContact CB-CB 3.97Å; A403-L414 HydrophobicContact CB-CD2 4.06Å; A403-L414 VanDerWaalsContact CB-O 3.31Å; A403-L414 WeakPolarHBondContact CB-O 3.35Å; A409-L414 HydrophobicContact CB-CD1 4.36Å; L410-L414 PolarHBondContact O-N 2.79Å; E411-L414 PolarHBondContact O-N 3.26Å; L414-Q416 VanDerWaalsContact C-N 3.27Å; L414-Q416 PolarHBondContact O-N 3.2Å; L414-I417 PolarHBondContact O-N 3Å; L414-A418 WeakPolarHBondContact O-CB 3.42Å; L414-A418 PolarHBondContact O-N 3.26Å; L414-Y426 HydrophobicContact CB-CD2 4.4Å; L414-Y428 HydrophobicContact CD1-CD2 4.31Å
415	K	89	Confident	82.7	Confident	75 Å²	75	45.2 Å²	45.2	33%	0.326	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-33.8	176.8	-70.4	179	178.4	166.6	0	112.5	E411 E413 I422 Y426	E411-K415 HydrophobicContact CG-CD 4.5Å; E411-K415 WeakPolarHBondContact O-CG 3.49Å; E411-K415 PolarHBondContact O-N 2.87Å; E411-K415 WeakPolarHBondContact OE1-CE 3.03Å; E411-K415 IonicContact OE1-NZ 2.73Å; E411-K415 PolarHBondContact OE1-NZ 2.96Å; E413-K415 VanDerWaalsContact C-N 3.35Å; E413-K415 PolarHBondContact O-N 3.18Å; K415-I422 HydrophobicContact CB-CG2 3.98Å; K415-I422 HydrophobicContact CD-CG2 4.32Å; K415-I422 HydrophobicContact CG-CG2 3.7Å; K415-Y426 VanDerWaalsContact CE-OH 3.28Å; K415-Y426 WeakPolarHBondContact CE-OH 3.26Å; K415-Y426 HydrophobicContact CG-CD1 4.08Å; K415-Y426 HydrophobicContact CG-CD2 4.39Å; K415-Y426 HydrophobicContact CG-CE1 4.23Å; K415-Y426 HydrophobicContact CG-CG 4.17Å
416	Q	92	Very high	82.4	Confident	74 Å²	74	47.7 Å²	47.7	35%	0.346	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-36.6	177	-170.1	168.9	37.9	0	0	112.1	I387 G388 K395 S412 E413 L414	I387-Q416 HydrophobicContact CD1-CB 4.19Å; I387-Q416 HydrophobicContact CD1-CG 4.47Å; G388-Q416 VanDerWaalsContact CA-NE2 3.31Å; K395-Q416 PolarHBondContact NZ-O 2.88Å; S412-Q416 PolarHBondContact O-N 3.13Å; E413-Q416 WeakPolarHBondContact O-CB 3.38Å; E413-Q416 PolarHBondContact O-N 3.06Å; E413-Q416 VanDerWaalsContact O-N 3.14Å; L414-Q416 VanDerWaalsContact C-N 3.27Å; L414-Q416 PolarHBondContact O-N 3.2Å
417	I	94.6	Very high	82.2	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-71	-45.3	177.3	-64.9	168.1	0	0	0	111	T349 L353 V377 I387 M401 A403 E413 L414	T349-I417 HydrophobicContact CG2-CD1 3.96Å; L353-I417 HydrophobicContact CD1-CD1 4.33Å; L353-I417 HydrophobicContact CD1-CG1 3.98Å; L353-I417 HydrophobicContact CD2-CG2 4.36Å; V377-I417 HydrophobicContact CB-CG2 4.07Å; V377-I417 HydrophobicContact CG1-CD1 4.33Å; V377-I417 HydrophobicContact CG1-CG2 4.44Å; V377-I417 HydrophobicContact CG2-CG2 3.78Å; I387-I417 HydrophobicContact CD1-CD1 4.2Å; I387-I417 HydrophobicContact CD1-CG1 4.03Å; M401-I417 WeakPolarHBondContact CB-O 3.14Å; M401-I417 HydrophobicContact CE-CG2 4.15Å; A403-I417 HydrophobicContact CB-CB 4.05Å; A403-I417 HydrophobicContact CB-CG2 4.01Å; E413-I417 VanDerWaalsContact O-CG1 3.31Å; E413-I417 WeakPolarHBondContact O-CG1 3.11Å; E413-I417 PolarHBondContact O-N 3.2Å; L414-I417 PolarHBondContact O-N 3Å
418	A	85.9	Confident	82.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-56.9	146.7	-176.1	0	0	0	0	0	113.4	K395 M401 A403 L414 H425	K395-A418 PolarHBondContact NZ-O 3.35Å; M401-A418 WeakPolarHBondContact O-CA 3.38Å; A403-A418 HydrophobicContact CB-CB 4.41Å; L414-A418 WeakPolarHBondContact O-CB 3.42Å; L414-A418 PolarHBondContact O-N 3.26Å; A418-H425 HydrophobicContact CB-CB 3.78Å
419	S	83.6	Confident	81.9	Confident	14 Å²	14	48.4 Å²	48.4	10%	0.098	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-78.2	162.1	169.9	-73.9	0	0	0	0	111.8	M401 P421 I422 H425	M401-S419 PolarHBondContact N-OG 3.25Å; M401-S419 PolarHBondContact O-N 2.74Å; S419-P421 CarbonylContact O-C 2.83Å; S419-I422 WeakPolarHBondContact O-CA 3.24Å; S419-I422 PolarHBondContact O-N 3.44Å; S419-H425 WeakPolarHBondContact O-CB 3.34Å; S419-H425 PolarHBondContact O-ND1 3.22Å
420	E	76.7	Confident	81.3	Confident	137 Å²	137	51.7 Å²	51.7	64%	0.64	28%	0.283	S	S	*	.	S	Bend	trans	-78.4	147	172.9	-67.7	-63.8	167.7	0	0	111.5	I422 H425	E420-I422 VanDerWaalsContact OE1-CD1 3.24Å; E420-I422 WeakPolarHBondContact OE1-CD1 3.38Å; E420-I422 WeakPolarHBondContact OE1-CG1 3.22Å; E420-I422 PolarHBondContact OE2-N 2.8Å; E420-H425 PolarHBondContact O-CE1 3.39Å
421	P	72.8	Confident	80.7	Confident	69 Å²	69	52.2 Å²	52.2	45%	0.448	29%	0.287	S	S	.	.	S	Bend	cis	-68.2	129.5	-9.6	28.6	-35.5	0	0	0	111.1	S419 G423 D424 H425	S419-P421 CarbonylContact O-C 2.83Å; P421-G423 PolarHBondContact O-N 3.5Å; P421-G423 VanDerWaalsContact O-N 3.12Å; P421-D424 HydrophobicContact CG-CB 4.21Å; P421-D424 WeakPolarHBondContact CG-OD2 3.39Å; P421-D424 PolarHBondContact O-N 2.91Å; P421-D424 VanDerWaalsContact O-N 3.07Å; P421-H425 PolarHBondContact O-ND1 3.42Å
422	I	71.2	Confident	80.2	Confident	49 Å²	49	49.4 Å²	49.4	25%	0.251	27%	0.273	S	S	.	.	H	α-helix	trans	-52	-42.6	-172.9	-75.6	163.4	0	0	0	112	K415 S419 E420 D424 H425 Y426	K415-I422 HydrophobicContact CB-CG2 3.98Å; K415-I422 HydrophobicContact CD-CG2 4.32Å; K415-I422 HydrophobicContact CG-CG2 3.7Å; S419-I422 WeakPolarHBondContact O-CA 3.24Å; S419-I422 PolarHBondContact O-N 3.44Å; E420-I422 VanDerWaalsContact OE1-CD1 3.24Å; E420-I422 WeakPolarHBondContact OE1-CD1 3.38Å; E420-I422 WeakPolarHBondContact OE1-CG1 3.22Å; E420-I422 PolarHBondContact OE2-N 2.8Å; I422-D424 PolarHBondContact O-N 2.99Å; I422-H425 PolarHBondContact O-N 3.15Å; I422-Y426 HydrophobicContact CG2-CD1 3.64Å; I422-Y426 HydrophobicContact CG2-CE1 4.06Å; I422-Y426 VanDerWaalsContact O-CD1 3.32Å; I422-Y426 WeakPolarHBondContact O-CD1 3.29Å; I422-Y426 PolarHBondContact O-N 2.92Å
423	G	65.9	Low	79.5	Confident	53 Å²	53	53.2 Å²	53.2	55%	0.546	28%	0.28	S	S	.	.	H	α-helix	trans	-56.3	-23.5	-176.6	0	0	0	0	0	115	P421	P421-G423 PolarHBondContact O-N 3.5Å; P421-G423 VanDerWaalsContact O-N 3.12Å
424	D	67.6	Low	78.4	Confident	56 Å²	56	53.8 Å²	53.8	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-94.2	-12.9	-179	-62.7	-15.2	0	0	0	112.7	P421 I422 F427	P421-D424 HydrophobicContact CG-CB 4.21Å; P421-D424 WeakPolarHBondContact CG-OD2 3.39Å; P421-D424 PolarHBondContact O-N 2.91Å; P421-D424 VanDerWaalsContact O-N 3.07Å; I422-D424 PolarHBondContact O-N 2.99Å; D424-F427 WeakPolarHBondContact O-CZ 3.17Å
425	H	74.8	Confident	77.5	Confident	7 Å²	7	53.9 Å²	53.9	3%	0.032	29%	0.29	C	S	.	.	H	α-helix	trans	-119.1	-3.7	-167.1	-67.4	94.1	0	0	0	114	E400 Y402 A403 A418 S419 E420 P421 I422	E400-H425 IonicContact OE1-NE2 2.76Å; Y402-H425 CarbonylContact C-O 3.55Å; Y402-H425 VanDerWaalsContact CA-O 3.31Å; Y402-H425 WeakPolarHBondContact CA-O 3.49Å; Y402-H425 HydrophobicContact CD1-CB 4.45Å; Y402-H425 AromaticContact CD1-CD2 3.94Å; Y402-H425 AromaticContact CE1-CD2 3.54Å; Y402-H425 AromaticContact CE2-CD2 3.96Å; Y402-H425 AromaticContact CZ-CD2 3.54Å; Y402-H425 AromaticContact CZ-NE2 3.89Å; A403-H425 PolarHBondContact N-O 3.04Å; A418-H425 HydrophobicContact CB-CB 3.78Å; S419-H425 WeakPolarHBondContact O-CB 3.34Å; S419-H425 PolarHBondContact O-ND1 3.22Å; E420-H425 PolarHBondContact O-CE1 3.39Å; P421-H425 PolarHBondContact O-ND1 3.42Å; I422-H425 PolarHBondContact O-N 3.15Å
426	Y	81.9	Confident	76.2	Confident	53 Å²	53	52 Å²	52	21%	0.208	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.1	170.3	93.4	-82.4	0	0	0	111.9	A403 E411 L414 K415 I422	A403-Y426 CarbonylContact O-C 3.55Å; A403-Y426 WeakPolarHBondContact O-CA 3.43Å; E411-Y426 HydrophobicContact CG-CD2 4.22Å; E411-Y426 HydrophobicContact CG-CE2 3.62Å; E411-Y426 VanDerWaalsContact OE1-CE2 3.31Å; E411-Y426 WeakPolarHBondContact OE1-CE2 3.14Å; E411-Y426 VanDerWaalsContact OE1-CZ 3.31Å; E411-Y426 PolarHBondContact OE1-OH 3.42Å; L414-Y426 HydrophobicContact CB-CD2 4.4Å; K415-Y426 VanDerWaalsContact CE-OH 3.28Å; K415-Y426 WeakPolarHBondContact CE-OH 3.26Å; K415-Y426 HydrophobicContact CG-CD1 4.08Å; K415-Y426 HydrophobicContact CG-CD2 4.39Å; K415-Y426 HydrophobicContact CG-CE1 4.23Å; K415-Y426 HydrophobicContact CG-CG 4.17Å; I422-Y426 HydrophobicContact CG2-CD1 3.64Å; I422-Y426 HydrophobicContact CG2-CE1 4.06Å; I422-Y426 VanDerWaalsContact O-CD1 3.32Å; I422-Y426 WeakPolarHBondContact O-CD1 3.29Å; I422-Y426 PolarHBondContact O-N 2.92Å
427	F	81.4	Confident	74.8	Confident	43 Å²	43	52.4 Å²	52.4	19%	0.189	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.8	177.8	-55.8	-76.9	0	0	0	109.3	Y402 A403 V404 G405 D424 I438	Y402-F427 AromaticContact CD1-CE2 3.99Å; Y402-F427 HydrophobicContact CD1-CE2 3.99Å; A403-F427 PolarHBondContact O-N 3.49Å; V404-F427 WeakPolarHBondContact CA-O 3.4Å; V404-F427 HydrophobicContact CG2-CD2 4.28Å; G405-F427 PolarHBondContact N-O 2.88Å; D424-F427 WeakPolarHBondContact O-CZ 3.17Å; F427-I438 HydrophobicContact CB-CD1 4.33Å; F427-I438 HydrophobicContact CB-CG2 4.49Å; F427-I438 HydrophobicContact CG-CG2 4.45Å
428	Y	81.9	Confident	73.2	Confident	109 Å²	109	53.1 Å²	53.1	43%	0.427	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.5	175.8	175	-98.1	0	0	0	110.2	G405 G407 L414	G405-Y428 WeakPolarHBondContact O-CA 3.37Å; G407-Y428 WeakPolarHBondContact O-CE2 3.15Å; G407-Y428 PolarHBondContact O-OH 3.2Å; L414-Y428 HydrophobicContact CD1-CD2 4.31Å
429	T	76.8	Confident	71.7	Confident	25 Å²	25	53.1 Å²	53.1	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.1	168.6	-173.7	0	0	0	0	111.3	G405 V406 G407 D431 A434 I438	G405-T429 PolarHBondContact O-N 2.9Å; V406-T429 CarbonylContact C-O 3.57Å; V406-T429 VanDerWaalsContact CA-O 3.25Å; V406-T429 WeakPolarHBondContact CA-O 3.49Å; V406-T429 HydrophobicContact CB-CG2 4.42Å; V406-T429 HydrophobicContact CG1-CG2 4.15Å; V406-T429 HydrophobicContact CG2-CG2 3.85Å; G407-T429 PolarHBondContact N-O 3.19Å; T429-D431 VanDerWaalsContact C-N 3.31Å; T429-D431 PolarHBondContact O-N 2.94Å; T429-A434 WeakPolarHBondContact OG1-CB 3.43Å; T429-I438 HydrophobicContact CG2-CD1 3.81Å
430	A	73.1	Confident	70.1	Confident	76 Å²	76	57.6 Å²	57.6	63%	0.628	31%	0.309	S	S	*	.	S	Bend	trans	-74.9	-19.4	179.9	0	0	0	0	0	113.3
431	D	75	Confident	68.6	Low	78 Å²	78	56 Å²	56	42%	0.417	30%	0.301	S	S	.	.			trans	-132	130.7	-173.3	-171	-14.3	0	0	0	112.2	T429 K433 A434 M435	T429-D431 VanDerWaalsContact C-N 3.31Å; T429-D431 PolarHBondContact O-N 2.94Å; D431-K433 PolarHBondContact O-N 3.33Å; D431-K433 WeakPolarHBondContact OD1-CB 3.32Å; D431-K433 PolarHBondContact OD1-N 3.23Å; D431-A434 HydrophobicContact CB-CB 4.48Å; D431-A434 WeakPolarHBondContact O-CB 3.26Å; D431-A434 PolarHBondContact O-N 3.49Å; D431-M435 PolarHBondContact O-N 3.05Å
432	F	72.1	Confident	67.5	Low	17 Å²	17	54.7 Å²	54.7	8%	0.075	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.5	173	-76.5	-93.6	0	0	0	113.4	V281 N285 L288 V289 F378 D380 V406 A434 M435	V281-F432 HydrophobicContact CG1-CE1 4.15Å; V281-F432 HydrophobicContact CG1-CZ 4.22Å; N285-F432 HydrophobicContact CB-CB 4.5Å; N285-F432 HydrophobicContact CB-CD1 3.72Å; N285-F432 HydrophobicContact CB-CD2 4.07Å; N285-F432 HydrophobicContact CB-CE1 3.79Å; N285-F432 HydrophobicContact CB-CE2 4.15Å; N285-F432 HydrophobicContact CB-CG 3.84Å; N285-F432 HydrophobicContact CB-CZ 3.99Å; L288-F432 HydrophobicContact CD1-CB 3.8Å; V289-F432 HydrophobicContact CG2-CD1 4.25Å; V289-F432 HydrophobicContact CG2-CE1 4.03Å; F378-F432 AromaticContact CE1-CE1 3.99Å; F378-F432 HydrophobicContact CE1-CE1 3.99Å; F378-F432 HydrophobicContact CZ-CD1 4.16Å; F378-F432 AromaticContact CZ-CE1 3.6Å; F378-F432 HydrophobicContact CZ-CE1 3.6Å; F378-F432 HydrophobicContact CZ-CZ 4.44Å; D380-F432 HydrophobicContact CB-CE1 4.49Å; D380-F432 HydrophobicContact CB-CE2 4.31Å; D380-F432 HydrophobicContact CB-CZ 3.59Å; V406-F432 HydrophobicContact CB-CD1 4.37Å; V406-F432 HydrophobicContact CB-CD2 4.44Å; V406-F432 HydrophobicContact CB-CE1 4.18Å; V406-F432 HydrophobicContact CB-CE2 4.23Å; V406-F432 HydrophobicContact CB-CZ 4.12Å; V406-F432 HydrophobicContact CG1-CB 4.23Å; V406-F432 HydrophobicContact CG1-CD1 3.85Å; V406-F432 HydrophobicContact CG1-CD2 3.4Å; V406-F432 HydrophobicContact CG1-CE1 4.04Å; V406-F432 HydrophobicContact CG1-CE2 3.59Å; V406-F432 HydrophobicContact CG1-CG 3.54Å; V406-F432 HydrophobicContact CG1-CZ 3.93Å; F432-A434 VanDerWaalsContact C-N 3.31Å; F432-M435 HydrophobicContact CD1-CE 4.31Å; F432-M435 WeakPolarHBondContact O-CB 3.13Å; F432-M435 PolarHBondContact O-N 3.36Å
433	K	71.1	Confident	66.2	Low	155 Å²	155	55 Å²	55	67%	0.674	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-33.4	174.6	-65.3	175.5	-177.5	172.5	0	112	D431 M435 S436	D431-K433 PolarHBondContact O-N 3.33Å; D431-K433 WeakPolarHBondContact OD1-CB 3.32Å; D431-K433 PolarHBondContact OD1-N 3.23Å; K433-M435 VanDerWaalsContact C-N 3.3Å; K433-S436 PolarHBondContact O-OG 3.43Å
434	A	68.4	Low	64.6	Low	36 Å²	36	57.6 Å²	57.6	30%	0.298	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.9	177.6	0	0	0	0	0	113	T429 D431 F432 S436 E437	T429-A434 WeakPolarHBondContact OG1-CB 3.43Å; D431-A434 HydrophobicContact CB-CB 4.48Å; D431-A434 WeakPolarHBondContact O-CB 3.26Å; D431-A434 PolarHBondContact O-N 3.49Å; F432-A434 VanDerWaalsContact C-N 3.31Å; A434-S436 PolarHBondContact O-N 3.13Å; A434-E437 VanDerWaalsContact O-CB 3.3Å; A434-E437 WeakPolarHBondContact O-CB 3.37Å; A434-E437 PolarHBondContact O-N 3.48Å
435	M	70.8	Confident	62.7	Low	3 Å²	3	60.6 Å²	60.6	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-29.4	172.4	-176.1	-176.4	44.8	0	0	112.6	L288 V289 W292 F378 V406 D431 F432 K433 E437 I438 A439	L288-M435 HydrophobicContact CB-CE 4.05Å; L288-M435 WeakPolarHBondContact O-CE 3.17Å; V289-M435 HydrophobicContact CG2-CE 4.1Å; V289-M435 HydrophobicContact CG2-SD 4.34Å; W292-M435 HydrophobicContact CB-CE 3.69Å; W292-M435 HydrophobicContact CB-CG 4.28Å; W292-M435 HydrophobicContact CB-SD 3.86Å; W292-M435 VanDerWaalsContact CD1-CG 3.47Å; W292-M435 VanDerWaalsContact CD1-O 3.3Å; W292-M435 HydrophobicContact CD2-CG 4.14Å; W292-M435 HydrophobicContact CD2-SD 3.9Å; W292-M435 HydrophobicContact CE3-SD 4.34Å; W292-M435 HydrophobicContact CG-CE 4.15Å; W292-M435 HydrophobicContact CG-CG 3.73Å; W292-M435 HydrophobicContact CG-SD 3.67Å; W292-M435 PolarHBondContact NE1-O 3.09Å; F378-M435 HydrophobicContact CD2-SD 4.11Å; F378-M435 HydrophobicContact CE2-CG 4.38Å; F378-M435 HydrophobicContact CE2-SD 3.26Å; F378-M435 WeakPolarHBondContact CE2-SD 3.4Å; F378-M435 HydrophobicContact CZ-SD 3.83Å; V406-M435 HydrophobicContact CG2-SD 4.44Å; D431-M435 PolarHBondContact O-N 3.05Å; F432-M435 HydrophobicContact CD1-CE 4.31Å; F432-M435 WeakPolarHBondContact O-CB 3.13Å; F432-M435 PolarHBondContact O-N 3.36Å; K433-M435 VanDerWaalsContact C-N 3.3Å; M435-E437 PolarHBondContact O-N 3Å; M435-I438 WeakPolarHBondContact O-CA 3.42Å; M435-I438 VanDerWaalsContact O-CB 3.25Å; M435-I438 WeakPolarHBondContact O-CB 2.72Å; M435-I438 PolarHBondContact O-N 3.48Å; M435-A439 PolarHBondContact O-N 2.95Å; M435-A439 VanDerWaalsContact O-N 3.12Å
436	S	62.6	Low	60.5	Low	36 Å²	36	68.9 Å²	68.9	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-26.1	174.3	64.8	0	0	0	0	113	K433 A434 I438 A439 K440	K433-S436 PolarHBondContact O-OG 3.43Å; A434-S436 PolarHBondContact O-N 3.13Å; S436-I438 VanDerWaalsContact C-N 3.35Å; S436-A439 PolarHBondContact O-N 3.45Å; S436-K440 WeakPolarHBondContact O-CG 3.48Å; S436-K440 PolarHBondContact O-N 3.07Å
437	E	62.2	Low	58.2	Low	81 Å²	81	68.5 Å²	68.5	38%	0.379	35%	0.347	S	S	.	.	H	α-helix	trans	-72.8	-30.3	172.1	-61.4	-57.8	132.8	0	0	111.5	A434 M435 K440 K441	A434-E437 VanDerWaalsContact O-CB 3.3Å; A434-E437 WeakPolarHBondContact O-CB 3.37Å; A434-E437 PolarHBondContact O-N 3.48Å; M435-E437 PolarHBondContact O-N 3Å; E437-K440 PolarHBondContact O-N 3.26Å; E437-K440 IonicContact OE1-NZ 2.72Å; E437-K440 PolarHBondContact OE1-NZ 2.54Å; E437-K441 WeakPolarHBondContact O-CB 3.32Å; E437-K441 WeakPolarHBondContact O-CG 3.39Å; E437-K441 PolarHBondContact O-N 2.8Å
438	I	61.8	Low	55.9	Low	18 Å²	18	75.6 Å²	75.6	9%	0.092	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-50.1	169.9	-55.9	175.2	0	0	0	108.5	V404 F427 T429 M435 S436 K440 K441 L442	V404-I438 HydrophobicContact CG1-CD1 4.01Å; F427-I438 HydrophobicContact CB-CD1 4.33Å; F427-I438 HydrophobicContact CB-CG2 4.49Å; F427-I438 HydrophobicContact CG-CG2 4.45Å; T429-I438 HydrophobicContact CG2-CD1 3.81Å; M435-I438 WeakPolarHBondContact O-CA 3.42Å; M435-I438 VanDerWaalsContact O-CB 3.25Å; M435-I438 WeakPolarHBondContact O-CB 2.72Å; M435-I438 PolarHBondContact O-N 3.48Å; S436-I438 VanDerWaalsContact C-N 3.35Å; I438-K440 VanDerWaalsContact C-N 3.27Å; I438-K440 PolarHBondContact O-N 2.98Å; I438-K441 PolarHBondContact O-N 2.79Å; I438-K441 VanDerWaalsContact O-N 3.13Å; I438-L442 HydrophobicContact CG2-CD1 4.27Å; I438-L442 HydrophobicContact CG2-CG 4.47Å; I438-L442 VanDerWaalsContact O-CG 3.25Å; I438-L442 WeakPolarHBondContact O-CG 3.26Å; I438-L442 PolarHBondContact O-N 3.19Å
439	A	54.2	Low	53.8	Low	1 Å²	1	74.7 Å²	74.7	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-26.6	176	0	0	0	0	0	114.8	W292 Q295 I296 M435 S436 Q443	W292-A439 HydrophobicContact CG-CB 4.42Å; Q295-A439 HydrophobicContact CB-CB 3.95Å; Q295-A439 VanDerWaalsContact OE1-CB 3.26Å; I296-A439 HydrophobicContact CG1-CB 4.43Å; M435-A439 PolarHBondContact O-N 2.95Å; M435-A439 VanDerWaalsContact O-N 3.12Å; S436-A439 PolarHBondContact O-N 3.45Å; A439-Q443 WeakPolarHBondContact O-CG 3.49Å; A439-Q443 PolarHBondContact O-NE2 2.85Å; A439-Q443 VanDerWaalsContact O-NE2 3.15Å
440	K	50.9	Low	52.1	Low	107 Å²	107	79.5 Å²	79.5	47%	0.465	42%	0.415	S	S	.	.	H	α-helix	trans	-76.5	-38.1	172.6	-74.7	175.3	-169.3	166.8	0	112.5	S436 E437 I438 L442 Q443	S436-K440 WeakPolarHBondContact O-CG 3.48Å; S436-K440 PolarHBondContact O-N 3.07Å; E437-K440 PolarHBondContact O-N 3.26Å; E437-K440 IonicContact OE1-NZ 2.72Å; E437-K440 PolarHBondContact OE1-NZ 2.54Å; I438-K440 VanDerWaalsContact C-N 3.27Å; I438-K440 PolarHBondContact O-N 2.98Å; K440-L442 VanDerWaalsContact C-N 3.27Å; K440-Q443 VanDerWaalsContact O-CB 3.3Å; K440-Q443 WeakPolarHBondContact O-CB 3.36Å; K440-Q443 WeakPolarHBondContact O-CG 3.26Å; K440-Q443 PolarHBondContact O-N 3.06Å; K440-Q443 VanDerWaalsContact O-N 3.09Å
441	K	45.2	Very low	50.6	Low	105 Å²	105	81.9 Å²	81.9	46%	0.457	43%	0.425	S	S	.	.	H	α-helix	trans	-72	-22.7	176.3	-71.1	172.5	-179	-171.8	0	112.7	E437 I438 Q443	E437-K441 WeakPolarHBondContact O-CB 3.32Å; E437-K441 WeakPolarHBondContact O-CG 3.39Å; E437-K441 PolarHBondContact O-N 2.8Å; I438-K441 PolarHBondContact O-N 2.79Å; I438-K441 VanDerWaalsContact O-N 3.13Å; K441-Q443 PolarHBondContact O-N 2.96Å
442	L	47.9	Very low	49	Very low	40 Å²	40	84.6 Å²	84.6	21%	0.209	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	2.1	167.4	-60.5	172	0	0	0	113.6	W292 I296 I438 K440 F459	W292-L442 HydrophobicContact CZ2-CD1 4.44Å; I296-L442 HydrophobicContact CD1-CD1 3.79Å; I296-L442 HydrophobicContact CG1-CD1 4.18Å; I438-L442 HydrophobicContact CG2-CD1 4.27Å; I438-L442 HydrophobicContact CG2-CG 4.47Å; I438-L442 VanDerWaalsContact O-CG 3.25Å; I438-L442 WeakPolarHBondContact O-CG 3.26Å; I438-L442 PolarHBondContact O-N 3.19Å; K440-L442 VanDerWaalsContact C-N 3.27Å; L442-F459 HydrophobicContact CB-CE2 3.93Å; L442-F459 HydrophobicContact CD2-CE2 3.24Å; L442-F459 HydrophobicContact CD2-CZ 3.23Å; L442-F459 HydrophobicContact CG-CE2 4.14Å
443	Q	45.1	Very low	47.5	Very low	57 Å²	57	87.2 Å²	87.2	27%	0.266	46%	0.455	S	S	.	.			trans	-104.1	136.8	-179.1	-47.5	179.5	13.8	0	0	111.5	K299 A439 K440 K441	K299-Q443 HydrophobicContact CD-CB 4.2Å; K299-Q443 HydrophobicContact CD-CG 3.83Å; K299-Q443 VanDerWaalsContact CE-OE1 3.29Å; K299-Q443 HydrophobicContact CG-CG 4.04Å; K299-Q443 VanDerWaalsContact NZ-CD 3.32Å; A439-Q443 WeakPolarHBondContact O-CG 3.49Å; A439-Q443 PolarHBondContact O-NE2 2.85Å; A439-Q443 VanDerWaalsContact O-NE2 3.15Å; K440-Q443 VanDerWaalsContact O-CB 3.3Å; K440-Q443 WeakPolarHBondContact O-CB 3.36Å; K440-Q443 WeakPolarHBondContact O-CG 3.26Å; K440-Q443 PolarHBondContact O-N 3.06Å; K440-Q443 VanDerWaalsContact O-N 3.09Å; K441-Q443 PolarHBondContact O-N 2.96Å
444	I	30.9	Very low	46.4	Very low	106 Å²	106	83.3 Å²	83.3	54%	0.544	44%	0.441	S	S	.	.				-159.8	133.6	118.4	-66.9	-152.2	0	0	0	109.1	K462	I444-K462 HydrophobicContact CB-CD 3.74Å; I444-K462 HydrophobicContact CD1-CD 3.35Å; I444-K462 HydrophobicContact CG1-CD 3.39Å; I444-K462 HydrophobicContact CG2-CD 4.46Å
445	N	28.8	Very low	45.3	Very low	119 Å²	119	85 Å²	85	64%	0.636	45%	0.451	S	S	*	.			trans	-114.7	126.9	165.4	-90.2	-11.5	0	0	0	112.2	K299	K299-N445 PolarHBondContact O-ND2 3.02Å
446	K	27.6	Very low	43.9	Very low	182 Å²	182	87.9 Å²	87.9	79%	0.791	47%	0.466	S	S	*	.				172.5	132.2	126.8	-105.9	-171.6	172.9	-169.7	0	107.8
447	C	34.3	Very low	42.9	Very low	45 Å²	45	89.4 Å²	89.4	30%	0.304	47%	0.474	S	S	.	.			trans	-118.1	123.5	170.4	-59.3	0	0	0	0	107.6	E452 C453 K458	C447-E452 PolarHBondContact SG-O 3.03Å; C447-E452 VanDerWaalsContact SG-O 3.39Å; C447-C453 HydrophobicContact CB-CB 3.65Å; C447-C453 WeakPolarHBondContact CB-SG 3.36Å; C447-C453 WeakPolarHBondContact SG-CA 3.43Å; C447-C453 WeakPolarHBondContact SG-CB 3.12Å; C447-C453 CovalentContact SG-SG 2.02Å; C447-C453 PolarHBondContact SG-SG 3.09Å; C447-K458 PolarHBondContact SG-NZ 3.33Å
448	E	34	Very low	42	Very low	191 Å²	191	88.1 Å²	88.1	89%	0.893	47%	0.467	S	S	*	.	S	Bend	trans	-96.1	6.6	171.8	-83.7	179.1	166.6	0	0	112.3
449	D	37.8	Very low	41.2	Very low	90 Å²	90	89.3 Å²	89.3	48%	0.481	47%	0.471	S	S	.	.	S	Bend	trans	-134.4	122	179.2	-153.5	-31.2	0	0	0	111.4	C451 E452	D449-C451 PolarHBondContact O-N 2.94Å; D449-C451 VanDerWaalsContact O-N 3.13Å; D449-E452 HydrophobicContact CB-CB 4.21Å; D449-E452 PolarHBondContact O-N 3.08Å; D449-E452 VanDerWaalsContact O-N 3.07Å
450	P	40.2	Very low	40.6	Very low	127 Å²	127	92.7 Å²	92.7	83%	0.825	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.5	-178.3	-23.3	33.4	0	0	0	115.4
451	C	42.9	Very low	40.3	Very low	126 Å²	126	93.7 Å²	93.7	85%	0.851	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-2.3	174.2	-70.5	0	0	0	0	114.3	D449	D449-C451 PolarHBondContact O-N 2.94Å; D449-C451 VanDerWaalsContact O-N 3.13Å
452	E	40.8	Very low	40.3	Very low	135 Å²	135	91.7 Å²	91.7	63%	0.631	48%	0.483	S	S	*	.			trans	-116	59.4	170.6	-73.3	-155.5	153.3	0	0	111.6	C447 D449 K458	C447-E452 PolarHBondContact SG-O 3.03Å; C447-E452 VanDerWaalsContact SG-O 3.39Å; D449-E452 HydrophobicContact CB-CB 4.21Å; D449-E452 PolarHBondContact O-N 3.08Å; D449-E452 VanDerWaalsContact O-N 3.07Å; E452-K458 WeakPolarHBondContact O-CE 3.46Å; E452-K458 PolarHBondContact O-NZ 2.76Å
453	C	41	Very low	40.1	Very low	71 Å²	71	90.7 Å²	90.7	48%	0.48	48%	0.478	S	S	.	.			trans	-130.7	64	169.3	-141.4	0	0	0	0	110.6	C447 S455	C447-C453 HydrophobicContact CB-CB 3.65Å; C447-C453 WeakPolarHBondContact CB-SG 3.36Å; C447-C453 WeakPolarHBondContact SG-CA 3.43Å; C447-C453 WeakPolarHBondContact SG-CB 3.12Å; C447-C453 CovalentContact SG-SG 2.02Å; C447-C453 PolarHBondContact SG-SG 3.09Å; C453-S455 PolarHBondContact O-N 3.29Å
454	D	46.6	Very low	40	Very low	73 Å²	73	93.7 Å²	93.7	39%	0.39	49%	0.492	S	S	.	.			trans	-80.2	93.6	164.7	-162.5	-23.4	0	0	0	108.3	L456 V457 K458	D454-L456 PolarHBondContact O-N 3.16Å; D454-L456 PolarHBondContact OD1-N 3.13Å; D454-V457 HydrophobicContact CB-CB 3.84Å; D454-V457 HydrophobicContact CB-CG2 4.31Å; D454-V457 VanDerWaalsContact CG-CB 3.44Å; D454-V457 VanDerWaalsContact CG-CG2 3.41Å; D454-V457 PolarHBondContact O-N 3.39Å; D454-V457 PolarHBondContact OD1-N 3.25Å; D454-V457 VanDerWaalsContact OD1-N 3.1Å; D454-V457 WeakPolarHBondContact OD2-CB 3.12Å; D454-V457 WeakPolarHBondContact OD2-CG2 3.49Å; D454-K458 VanDerWaalsContact O-CB 3.22Å; D454-K458 WeakPolarHBondContact O-CB 3.21Å; D454-K458 WeakPolarHBondContact O-CG 3.37Å; D454-K458 PolarHBondContact O-N 2.88Å
455	S	45.3	Very low	40.6	Very low	72 Å²	72	93.3 Å²	93.3	50%	0.503	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.2	-178.6	44.6	0	0	0	0	112.8	C453 F459	C453-S455 PolarHBondContact O-N 3.29Å; S455-F459 WeakPolarHBondContact O-CB 3.35Å; S455-F459 PolarHBondContact O-N 2.75Å
456	L	42.6	Very low	41.2	Very low	63 Å²	63	89.6 Å²	89.6	33%	0.33	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-45.8	175.9	-94.9	153.2	0	0	0	111.5	D454 K458 F459 Q460	D454-L456 PolarHBondContact O-N 3.16Å; D454-L456 PolarHBondContact OD1-N 3.13Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 3.19Å; L456-F459 WeakPolarHBondContact O-CB 3.43Å; L456-F459 PolarHBondContact O-N 3.38Å; L456-Q460 WeakPolarHBondContact O-CB 3.43Å; L456-Q460 WeakPolarHBondContact O-CG 3.29Å; L456-Q460 PolarHBondContact O-N 2.86Å
457	V	41.9	Very low	41.8	Very low	68 Å²	68	85.1 Å²	85.1	41%	0.412	46%	0.461	S	S	.	.	H	α-helix	trans	-67.4	-32.9	175.2	170.2	0	0	0	0	111.9	D454 F459 K461	D454-V457 HydrophobicContact CB-CB 3.84Å; D454-V457 HydrophobicContact CB-CG2 4.31Å; D454-V457 VanDerWaalsContact CG-CB 3.44Å; D454-V457 VanDerWaalsContact CG-CG2 3.41Å; D454-V457 PolarHBondContact O-N 3.39Å; D454-V457 PolarHBondContact OD1-N 3.25Å; D454-V457 VanDerWaalsContact OD1-N 3.1Å; D454-V457 WeakPolarHBondContact OD2-CB 3.12Å; D454-V457 WeakPolarHBondContact OD2-CG2 3.49Å; V457-F459 VanDerWaalsContact C-N 3.27Å; V457-F459 PolarHBondContact O-N 3.02Å; V457-K461 WeakPolarHBondContact O-CB 3.42Å; V457-K461 PolarHBondContact O-N 3.36Å
458	K	42	Very low	42.3	Very low	55 Å²	55	89.8 Å²	89.8	24%	0.239	48%	0.479	C	S	.	.	H	α-helix	trans	-69.4	-24.7	172	-77.6	179.6	175	-178.8	0	113	C447 E452 D454 L456 K462	C447-K458 PolarHBondContact SG-NZ 3.33Å; E452-K458 WeakPolarHBondContact O-CE 3.46Å; E452-K458 PolarHBondContact O-NZ 2.76Å; D454-K458 VanDerWaalsContact O-CB 3.22Å; D454-K458 WeakPolarHBondContact O-CB 3.21Å; D454-K458 WeakPolarHBondContact O-CG 3.37Å; D454-K458 PolarHBondContact O-N 2.88Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 3.19Å; K458-K462 WeakPolarHBondContact O-CB 3.47Å; K458-K462 WeakPolarHBondContact O-CD 2.91Å; K458-K462 WeakPolarHBondContact O-CE 3.16Å; K458-K462 WeakPolarHBondContact O-CG 3.34Å
459	F	44.7	Very low	42.7	Very low	42 Å²	42	84 Å²	84	18%	0.184	46%	0.463	C	S	.	.	H	α-helix	trans	-81.1	-52.8	174	174.8	-92.9	0	0	0	110.2	Y402 L442 S455 L456 V457 K462 V463	Y402-F459 HydrophobicContact CE1-CE1 4.11Å; Y402-F459 HydrophobicContact CE1-CZ 4.35Å; L442-F459 HydrophobicContact CB-CE2 3.93Å; L442-F459 HydrophobicContact CD2-CE2 3.24Å; L442-F459 HydrophobicContact CD2-CZ 3.23Å; L442-F459 HydrophobicContact CG-CE2 4.14Å; S455-F459 WeakPolarHBondContact O-CB 3.35Å; S455-F459 PolarHBondContact O-N 2.75Å; L456-F459 WeakPolarHBondContact O-CB 3.43Å; L456-F459 PolarHBondContact O-N 3.38Å; V457-F459 VanDerWaalsContact C-N 3.27Å; V457-F459 PolarHBondContact O-N 3.02Å; F459-K462 PolarHBondContact O-N 3.2Å; F459-V463 HydrophobicContact CD1-CG2 4.48Å; F459-V463 HydrophobicContact CE1-CG2 4.34Å; F459-V463 VanDerWaalsContact O-CG2 3.29Å; F459-V463 WeakPolarHBondContact O-CG2 3.39Å; F459-V463 PolarHBondContact O-N 3.44Å
460	Q	42.3	Very low	42.8	Very low	72 Å²	72	84.1 Å²	84.1	34%	0.336	46%	0.464	S	S	.	.	H	α-helix	trans	-59.7	-49.4	179.6	-73.6	174.4	-35.8	0	0	112.8	L456 K462 V463 E464	L456-Q460 WeakPolarHBondContact O-CB 3.43Å; L456-Q460 WeakPolarHBondContact O-CG 3.29Å; L456-Q460 PolarHBondContact O-N 2.86Å; Q460-K462 PolarHBondContact O-N 3.01Å; Q460-V463 WeakPolarHBondContact O-CB 3.42Å; Q460-V463 PolarHBondContact O-N 3.42Å; Q460-E464 PolarHBondContact O-N 3.1Å
461	K	43.4	Very low	42.9	Very low	128 Å²	128	84.2 Å²	84.2	56%	0.557	46%	0.457	S	S	*	.	H	α-helix	trans	-62.7	-28.6	179.7	-170	170.1	-176.7	171.8	0	113.1	V457 D465	V457-K461 WeakPolarHBondContact O-CB 3.42Å; V457-K461 PolarHBondContact O-N 3.36Å; K461-D465 PolarHBondContact O-N 3.08Å
462	K	47	Very low	42.8	Very low	63 Å²	63	86.4 Å²	86.4	27%	0.274	45%	0.452	S	S	.	.	H	α-helix	trans	-86.5	-28.9	-179.8	-67.7	-176.7	-173.5	153	0	113	I444 K458 F459 Q460 A466	I444-K462 HydrophobicContact CB-CD 3.74Å; I444-K462 HydrophobicContact CD1-CD 3.35Å; I444-K462 HydrophobicContact CG1-CD 3.39Å; I444-K462 HydrophobicContact CG2-CD 4.46Å; K458-K462 WeakPolarHBondContact O-CB 3.47Å; K458-K462 WeakPolarHBondContact O-CD 2.91Å; K458-K462 WeakPolarHBondContact O-CE 3.16Å; K458-K462 WeakPolarHBondContact O-CG 3.34Å; F459-K462 PolarHBondContact O-N 3.2Å; Q460-K462 PolarHBondContact O-N 3.01Å; K462-A466 VanDerWaalsContact O-CB 3.28Å; K462-A466 WeakPolarHBondContact O-CB 3.35Å; K462-A466 PolarHBondContact O-N 3.42Å
463	V	42	Very low	42.7	Very low	19 Å²	19	88.2 Å²	88.2	12%	0.115	46%	0.458	C	S	.	.	H	α-helix	trans	-63	-47.2	164.8	172	0	0	0	0	108.7	F459 Q460 A466 L467	F459-V463 HydrophobicContact CD1-CG2 4.48Å; F459-V463 HydrophobicContact CE1-CG2 4.34Å; F459-V463 VanDerWaalsContact O-CG2 3.29Å; F459-V463 WeakPolarHBondContact O-CG2 3.39Å; F459-V463 PolarHBondContact O-N 3.44Å; Q460-V463 WeakPolarHBondContact O-CB 3.42Å; Q460-V463 PolarHBondContact O-N 3.42Å; V463-A466 PolarHBondContact O-N 3.02Å; V463-L467 HydrophobicContact CG1-CD1 3.79Å; V463-L467 HydrophobicContact CG1-CG 4.34Å; V463-L467 WeakPolarHBondContact O-CB 3.34Å; V463-L467 WeakPolarHBondContact O-CD1 3.42Å; V463-L467 WeakPolarHBondContact O-CG 3.49Å; V463-L467 PolarHBondContact O-N 2.68Å
464	E	44.5	Very low	42.7	Very low	120 Å²	120	95 Å²	95	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-57.4	-48.9	174.8	-103.5	-178.3	147.1	0	0	114.9	Q460 A466 L467 Q468	Q460-E464 PolarHBondContact O-N 3.1Å; E464-A466 VanDerWaalsContact C-N 3.3Å; E464-A466 PolarHBondContact O-N 3.46Å; E464-L467 WeakPolarHBondContact O-CB 3.38Å; E464-L467 PolarHBondContact O-N 2.96Å; E464-L467 VanDerWaalsContact O-N 3.14Å; E464-Q468 PolarHBondContact O-N 3Å
465	D	43.7	Very low	42.3	Very low	99 Å²	99	98.1 Å²	98.1	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-66.6	-32.3	179.4	-73.5	-24.9	0	0	0	112.1	K461	K461-D465 PolarHBondContact O-N 3.08Å
466	A	40.9	Very low	41.9	Very low	40 Å²	40	101.4 Å²	101.4	33%	0.331	50%	0.501	S	S	.	.	H	α-helix	trans	-73.3	-29.1	173.4	0	0	0	0	0	112.9	K462 V463 E464	K462-A466 VanDerWaalsContact O-CB 3.28Å; K462-A466 WeakPolarHBondContact O-CB 3.35Å; K462-A466 PolarHBondContact O-N 3.42Å; V463-A466 PolarHBondContact O-N 3.02Å; E464-A466 VanDerWaalsContact C-N 3.3Å; E464-A466 PolarHBondContact O-N 3.46Å
467	L	40.8	Very low	41.7	Very low	88 Å²	88	109.5 Å²	109.5	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-68.3	-38.7	175.8	-73.3	163.5	0	0	0	112	V463 E464 A469 L470	V463-L467 HydrophobicContact CG1-CD1 3.79Å; V463-L467 HydrophobicContact CG1-CG 4.34Å; V463-L467 WeakPolarHBondContact O-CB 3.34Å; V463-L467 WeakPolarHBondContact O-CD1 3.42Å; V463-L467 WeakPolarHBondContact O-CG 3.49Å; V463-L467 PolarHBondContact O-N 2.68Å; E464-L467 WeakPolarHBondContact O-CB 3.38Å; E464-L467 PolarHBondContact O-N 2.96Å; E464-L467 VanDerWaalsContact O-N 3.14Å; L467-A469 PolarHBondContact O-N 3.26Å; L467-L470 PolarHBondContact O-N 3.05Å
468	Q	44.5	Very low	41.7	Very low	144 Å²	144	109.7 Å²	109.7	67%	0.673	54%	0.544	S	S	*	.	H	α-helix	trans	-68.4	-30.7	179	-70.4	-172.3	4.6	0	0	113.9	E464 L470	E464-Q468 PolarHBondContact O-N 3Å; Q468-L470 VanDerWaalsContact C-N 3.34Å; Q468-L470 PolarHBondContact O-N 3.39Å
469	A	42.7	Very low	41.4	Very low	68 Å²	68	118.8 Å²	118.8	56%	0.562	60%	0.596	S	S	*	*	H	α-helix	trans	-74.3	-22.1	-179.9	0	0	0	0	0	113.6	L467	L467-A469 PolarHBondContact O-N 3.26Å
470	L	39.2	Very low	41.3	Very low	94 Å²	94	122.6 Å²	122.6	49%	0.492	62%	0.616	S	S	.	*	H	α-helix	trans	-78.4	-36.9	176.7	-77	161.6	0	0	0	112.3	L467 Q468 K472 K473	L467-L470 PolarHBondContact O-N 3.05Å; Q468-L470 VanDerWaalsContact C-N 3.34Å; Q468-L470 PolarHBondContact O-N 3.39Å; L470-K472 VanDerWaalsContact C-N 3.29Å; L470-K472 PolarHBondContact O-N 3.12Å; L470-K473 PolarHBondContact O-N 3.38Å
471	N	41.3	Very low	41.2	Very low	128 Å²	128	125.3 Å²	125.3	68%	0.684	63%	0.631	S	S	*	*	H	α-helix	trans	-69.6	-22.6	179.3	-101.1	-6.5	0	0	0	114
472	K	40.9	Very low	41.1	Very low	173 Å²	173	125.1 Å²	125.1	75%	0.752	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-15.2	178.1	-111.4	177.6	-179.6	175.3	0	114.3	L470	L470-K472 VanDerWaalsContact C-N 3.29Å; L470-K472 PolarHBondContact O-N 3.12Å
473	K	40.4	Very low	40.8	Very low	172 Å²	172	128.8 Å²	128.8	75%	0.748	66%	0.656	S	S	*	*	S	Bend	trans	-99.3	-7.2	-171.9	-130.3	178.2	-177	-178.2	0	115.2	L470	L470-K473 PolarHBondContact O-N 3.38Å
474	Y	40.3	Very low	40.7	Very low	214 Å²	214	135.6 Å²	135.6	84%	0.839	69%	0.69	S	S	*	*	S	Bend	trans	-112.6	9.4	176.9	-79.9	-81.1	0	0	0	114.7
475	I	38.3	Very low	40.4	Very low	139 Å²	139	136.7 Å²	136.7	71%	0.713	70%	0.699	S	S	*	*	S	Bend	trans	-101.5	-4.6	172.7	-62	176.3	0	0	0	112
476	L	37	Very low	40.2	Very low	141 Å²	141	139.4 Å²	139.4	74%	0.738	71%	0.711	S	S	*	*	S	Bend	trans	-113.3	20.8	-176	-67.2	176.9	0	0	0	115.6
477	Y	38	Very low	40.1	Very low	233 Å²	233	147 Å²	147	91%	0.914	74%	0.74	S	S	*	*			trans	-134.7	65.9	165.1	-82	-78.9	0	0	0	109.9
478	G	42.1	Very low	40.1	Very low	71 Å²	71	151.9 Å²	151.9	73%	0.732	76%	0.764	S	S	*	*			trans	-132.6	77.6	162.4	0	0	0	0	0	107.8
479	D	36.4	Very low	39.7	Very low	246 Å²	246	152.6 Å²	152.6	100%	1.316	77%	0.772	S	S	*	*			trans	-141.9	0	153.9	-90.8	-28.6	0	0	0	107.3

Retrieved 479 of 479 residues in 207 ms (Link to these results)

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